6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbaldehyde;6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile;[6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]methanol;(NE)-N-[[6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]methylidene]hydroxylamine;(6S)-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile;(6R)-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile

C118H120N40O11S4 — CID 172962499

IUPAC6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbaldehyde;6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile;[6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]methanol;(NE)-N-[[6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]methylidene]hydroxylamine;(6S)-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile;(6R)-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile
SMILESCN(c1ncnc2[nH]ccc12)[C@@H]1CCc2cc(C#N)nn2C1.CN(c1ncnc2[nH]ccc12)[C@H]1CCc2cc(C#N)nn2C1.Cc1ccc(S(=O)(=O)n2ccc3c(N(C)C4CCc5cc(/C=N/O)nn5C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N(C)C4CCc5cc(C#N)nn5C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N(C)C4CCc5cc(C=O)nn5C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N(C)C4CCc5cc(CO)nn5C4)ncnc32)cc1
InChIInChI=1S/C22H23N7O3S.C22H21N7O2S.C22H24N6O3S.C22H22N6O3S.2C15H15N7/c1-15-3-7-19(8-4-15)33(31,32)29-10-9-20-21(23-14-24-22(20)29)27(2)18-6-5-17-11-16(12-25-30)26-28(17)13-18;1-15-3-7-19(8-4-15)32(30,31)29-10-9-20-21(24-14-25-22(20)29)27(2)18-6-5-17-11-16(12-23)26-28(17)13-18;2*1-15-3-7-19(8-4-15)32(30,31)28-10-9-20-21(23-14-24-22(20)28)26(2)18-6-5-17-11-16(13-29)25-27(17)12-18;2*1-21(15-13-4-5-17-14(13)18-9-19-15)12-3-2-11-6-10(7-16)20-22(11)8-12/h3-4,7-12,14,18,30H,5-6,13H2,1-2H3;3-4,7-11,14,18H,5-6,13H2,1-2H3;3-4,7-11,14,18,29H,5-6,12-13H2,1-2H3;3-4,7-11,13-14,18H,5-6,12H2,1-2H3;2*4-6,9,12H,2-3,8H2,1H3,(H,17,18,19)/b25-12+;;;;;/t;;;;2*12-/m....10/s1
InChIKeyXDJXLLQTVSVVSX-GHJTVARNSA-N
MW2402.79 g/mol
LogP12.44
Rot. Bonds23

About 6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbaldehyde;6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile;[6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]methanol;(NE)-N-[[6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]methylidene]hydroxylamine;(6S)-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile;(6R)-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile

6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbaldehyde;6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile;[6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]methanol;(NE)-N-[[6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]methylidene]hydroxylamine;(6S)-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile;(6R)-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile (PubChem CID 172962499) has the molecular formula C118H120N40O11S4 and a molecular weight of 2402.79 g/mol. Its IUPAC name is 6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbaldehyde;6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile;[6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]methanol;(NE)-N-[[6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]methylidene]hydroxylamine;(6S)-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile;(6R)-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbaldehyde;6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile;[6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]methanol;(NE)-N-[[6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]methylidene]hydroxylamine;(6S)-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile;(6R)-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile
PubChem CID172962499
Molecular FormulaC118H120N40O11S4
Molecular Weight2402.79 g/mol
Exact Mass2400.89
IUPAC Name6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbaldehyde;6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile;[6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]methanol;(NE)-N-[[6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]methylidene]hydroxylamine;(6S)-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile;(6R)-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile
SMILESCN(c1ncnc2[nH]ccc12)[C@@H]1CCc2cc(C#N)nn2C1.CN(c1ncnc2[nH]ccc12)[C@H]1CCc2cc(C#N)nn2C1.Cc1ccc(S(=O)(=O)n2ccc3c(N(C)C4CCc5cc(/C=N/O)nn5C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N(C)C4CCc5cc(C#N)nn5C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N(C)C4CCc5cc(C=O)nn5C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N(C)C4CCc5cc(CO)nn5C4)ncnc32)cc1
InChIInChI=1S/C22H23N7O3S.C22H21N7O2S.C22H24N6O3S.C22H22N6O3S.2C15H15N7/c1-15-3-7-19(8-4-15)33(31,32)29-10-9-20-21(23-14-24-22(20)29)27(2)18-6-5-17-11-16(12-25-30)26-28(17)13-18;1-15-3-7-19(8-4-15)32(30,31)29-10-9-20-21(24-14-25-22(20)29)27(2)18-6-5-17-11-16(12-23)26-28(17)13-18;2*1-15-3-7-19(8-4-15)32(30,31)28-10-9-20-21(23-14-24-22(20)28)26(2)18-6-5-17-11-16(13-29)25-27(17)12-18;2*1-21(15-13-4-5-17-14(13)18-9-19-15)12-3-2-11-6-10(7-16)20-22(11)8-12/h3-4,7-12,14,18,30H,5-6,13H2,1-2H3;3-4,7-11,14,18H,5-6,13H2,1-2H3;3-4,7-11,14,18,29H,5-6,12-13H2,1-2H3;3-4,7-11,13-14,18H,5-6,12H2,1-2H3;2*4-6,9,12H,2-3,8H2,1H3,(H,17,18,19)/b25-12+;;;;;/t;;;;2*12-/m....10/s1
InChIKeyXDJXLLQTVSVVSX-GHJTVARNSA-N
XLogP12.44
TPSA610.16 Ų
H-Bond Donors4
H-Bond Acceptors49
Rotatable Bonds23
Heavy Atoms173
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002402.79
LogP ≤ 512.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbaldehyde;6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile;[6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]methanol;(NE)-N-[[6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]methylidene]hydroxylamine;(6S)-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile;(6R)-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbaldehyde;6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile;[6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]methanol;(NE)-N-[[6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]methylidene]hydroxylamine;(6S)-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile;(6R)-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile?
The IUPAC name of 6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbaldehyde;6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile;[6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]methanol;(NE)-N-[[6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]methylidene]hydroxylamine;(6S)-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile;(6R)-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile (CID 172962499) is 6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbaldehyde;6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile;[6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]methanol;(NE)-N-[[6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]methylidene]hydroxylamine;(6S)-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile;(6R)-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbaldehyde;6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile;[6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]methanol;(NE)-N-[[6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]methylidene]hydroxylamine;(6S)-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile;(6R)-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile?
The canonical SMILES for 6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbaldehyde;6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile;[6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]methanol;(NE)-N-[[6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]methylidene]hydroxylamine;(6S)-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile;(6R)-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile is CN(c1ncnc2[nH]ccc12)[C@@H]1CCc2cc(C#N)nn2C1.CN(c1ncnc2[nH]ccc12)[C@H]1CCc2cc(C#N)nn2C1.Cc1ccc(S(=O)(=O)n2ccc3c(N(C)C4CCc5cc(/C=N/O)nn5C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N(C)C4CCc5cc(C#N)nn5C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N(C)C4CCc5cc(C=O)nn5C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N(C)C4CCc5cc(CO)nn5C4)ncnc32)cc1.
What is the InChIKey of 6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbaldehyde;6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile;[6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]methanol;(NE)-N-[[6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]methylidene]hydroxylamine;(6S)-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile;(6R)-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile?
The InChIKey is XDJXLLQTVSVVSX-GHJTVARNSA-N. The full InChI is InChI=1S/C22H23N7O3S.C22H21N7O2S.C22H24N6O3S.C22H22N6O3S.2C15H15N7/c1-15-3-7-19(8-4-15)33(31,32)29-10-9-20-21(23-14-24-22(20)29)27(2)18-6-5-17-11-16(12-25-30)26-28(17)13-18;1-15-3-7-19(8-4-15)32(30,31)29-10-9-20-21(24-14-25-22(20)29)27(2)18-6-5-17-11-16(12-23)26-28(17)13-18;2*1-15-3-7-19(8-4-15)32(30,31)28-10-9-20-21(23-14-24-22(20)28)26(2)18-6-5-17-11-16(13-29)25-27(17)12-18;2*1-21(15-13-4-5-17-14(13)18-9-19-15)12-3-2-11-6-10(7-16)20-22(11)8-12/h3-4,7-12,14,18,30H,5-6,13H2,1-2H3;3-4,7-11,14,18H,5-6,13H2,1-2H3;3-4,7-11,14,18,29H,5-6,12-13H2,1-2H3;3-4,7-11,13-14,18H,5-6,12H2,1-2H3;2*4-6,9,12H,2-3,8H2,1H3,(H,17,18,19)/b25-12+;;;;;/t;;;;2*12-/m....10/s1.
What are the key properties of 6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbaldehyde;6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile;[6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]methanol;(NE)-N-[[6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]methylidene]hydroxylamine;(6S)-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile;(6R)-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile?
6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbaldehyde;6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile;[6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]methanol;(NE)-N-[[6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]methylidene]hydroxylamine;(6S)-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile;(6R)-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile has a molecular weight of 2402.79 g/mol, XLogP of 12.44, 23 rotatable bonds, 4 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbaldehyde;6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile;[6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]methanol;(NE)-N-[[6-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]methylidene]hydroxylamine;(6S)-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile;(6R)-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile is sourced from PubChem (CID 172962499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).