(6R)-6-[[5-amino-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile

C22H21N7O2S — CID 166591608

IUPAC(6R)-6-[[5-amino-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile
SMILESCc1ccc(S(=O)(=O)n2ccc3c(N[C@@H]4CCc5cc(C#N)nn5C4)c(N)cnc32)cc1
InChIInChI=1S/C22H21N7O2S/c1-14-2-6-18(7-3-14)32(30,31)29-9-8-19-21(20(24)12-25-22(19)29)26-15-4-5-17-10-16(11-23)27-28(17)13-15/h2-3,6-10,12,15H,4-5,13,24H2,1H3,(H,25,26)/t15-/m1/s1
InChIKeyCDUCTRNLZGYYSG-OAHLLOKOSA-N
MW447.52 g/mol
LogP2.66
Rot. Bonds4

About (6R)-6-[[5-amino-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile

(6R)-6-[[5-amino-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile (PubChem CID 166591608) has the molecular formula C22H21N7O2S and a molecular weight of 447.52 g/mol. Its IUPAC name is (6R)-6-[[5-amino-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile.

Molecular Properties

Compound Name(6R)-6-[[5-amino-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile
PubChem CID166591608
Molecular FormulaC22H21N7O2S
Molecular Weight447.52 g/mol
Exact Mass447.15
IUPAC Name(6R)-6-[[5-amino-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile
SMILESCc1ccc(S(=O)(=O)n2ccc3c(N[C@@H]4CCc5cc(C#N)nn5C4)c(N)cnc32)cc1
InChIInChI=1S/C22H21N7O2S/c1-14-2-6-18(7-3-14)32(30,31)29-9-8-19-21(20(24)12-25-22(19)29)26-15-4-5-17-10-16(11-23)27-28(17)13-15/h2-3,6-10,12,15H,4-5,13,24H2,1H3,(H,25,26)/t15-/m1/s1
InChIKeyCDUCTRNLZGYYSG-OAHLLOKOSA-N
XLogP2.66
TPSA131.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (6R)-6-[[5-amino-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile with MolForge

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Related Compounds

1-(4-methylphenyl)sulfonyl-4-N-piperidin-1-ylpyrrolo[2,3-b]pyridine-4,5-diamine
CID 150240734
methyl 3-[[5-amino-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentane-1-carboxylate
CID 78042404
1-(benzenesulfonyl)-4-N-(1-benzylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridine-4,5-diamine
CID 67346810
1-(benzenesulfonyl)-4-N-(4,5,6,7-tetrahydro-3H-indol-6-yl)pyrrolo[2,3-b]pyridine-4,5-diamine
CID 58394971
1-[4-[[5-amino-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexyl]propan-2-one
CID 160695972
1-(benzenesulfonyl)-4-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrrolo[2,3-b]pyridine-4,5-diamine
CID 71212600
1-(benzenesulfonyl)-4-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrrolo[2,3-b]pyridine-4,5-diamine
CID 131730634
tert-butyl N-[3-[[5-amino-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentyl]carbamate
CID 67345228
tert-butyl N-[(1R,3R)-3-[[5-amino-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentyl]carbamate
CID 67352141
1-(benzenesulfonyl)-4-N-methylpyrrolo[2,3-b]pyridine-4,5-diamine
CID 177039469
5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carbonitrile
CID 58382109
5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine
CID 67078609

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[[5-amino-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile?
The IUPAC name of (6R)-6-[[5-amino-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile (CID 166591608) is (6R)-6-[[5-amino-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile.
What is the SMILES notation for (6R)-6-[[5-amino-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile?
The canonical SMILES for (6R)-6-[[5-amino-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile is Cc1ccc(S(=O)(=O)n2ccc3c(N[C@@H]4CCc5cc(C#N)nn5C4)c(N)cnc32)cc1.
What is the InChIKey of (6R)-6-[[5-amino-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile?
The InChIKey is CDUCTRNLZGYYSG-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H21N7O2S/c1-14-2-6-18(7-3-14)32(30,31)29-9-8-19-21(20(24)12-25-22(19)29)26-15-4-5-17-10-16(11-23)27-28(17)13-15/h2-3,6-10,12,15H,4-5,13,24H2,1H3,(H,25,26)/t15-/m1/s1.
What are the key properties of (6R)-6-[[5-amino-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile?
(6R)-6-[[5-amino-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile has a molecular weight of 447.52 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[[5-amino-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonitrile is sourced from PubChem (CID 166591608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).