[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

C22H24N6O3S — CID 164822064

IUPAC[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
SMILESCc1ccc(S(=O)(=O)n2ccc3c(N(C)C4CCc5cc(CO)nn5C4)ncnc32)cc1
InChIInChI=1S/C22H24N6O3S/c1-15-3-7-19(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/h3-4,7-11,14,18,29H,5-6,12-13H2,1-2H3
InChIKeyWFCUBIQQAZVAHT-UHFFFAOYSA-N
MW452.54 g/mol
LogP2.12
Rot. Bonds5

About [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

[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 (PubChem CID 164822064) has the molecular formula C22H24N6O3S and a molecular weight of 452.54 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]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[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
PubChem CID164822064
Molecular FormulaC22H24N6O3S
Molecular Weight452.54 g/mol
Exact Mass452.16
IUPAC Name[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
SMILESCc1ccc(S(=O)(=O)n2ccc3c(N(C)C4CCc5cc(CO)nn5C4)ncnc32)cc1
InChIInChI=1S/C22H24N6O3S/c1-15-3-7-19(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/h3-4,7-11,14,18,29H,5-6,12-13H2,1-2H3
InChIKeyWFCUBIQQAZVAHT-UHFFFAOYSA-N
XLogP2.12
TPSA106.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [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 with MolForge

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Related Compounds

Pazopanib metabolite M24
CID 72942037
[6-Phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]methanol
CID 71602073
4-[6-(butylamino)-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 68212442
4-[6-(Butylamino)-3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylphenyl]pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol
CID 68212794
4-[6-(Butylamino)-3-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol
CID 71289223
US10479795, Example 8
CID 132260164
US10479795, Example 12
CID 132260287
US10479795, Example 28
CID 132260680
US10479795, Example 10
CID 132261117
US10479795, Example 29
CID 132261525
1-benzyl-3-(1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-3-ol
CID 58172475
[5-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methanol
CID 118782261

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]pyridin-2-yl]methanol?
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]pyridin-2-yl]methanol (CID 164822064) is [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.
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]pyridin-2-yl]methanol?
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]pyridin-2-yl]methanol is 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]pyridin-2-yl]methanol?
The InChIKey is WFCUBIQQAZVAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3S/c1-15-3-7-19(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/h3-4,7-11,14,18,29H,5-6,12-13H2,1-2H3.
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]pyridin-2-yl]methanol?
[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 has a molecular weight of 452.54 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 9 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]pyridin-2-yl]methanol is sourced from PubChem (CID 164822064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).