[2-amino-4-chloro-7-[(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol

C16H21ClN6O — CID 90787494

IUPAC[2-amino-4-chloro-7-[(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol
SMILESCc1c(CN2CC(CO)c3c(Cl)nc(N)nc32)nn2c1CCCC2
InChIInChI=1S/C16H21ClN6O/c1-9-11(21-23-5-3-2-4-12(9)23)7-22-6-10(8-24)13-14(17)19-16(18)20-15(13)22/h10,24H,2-8H2,1H3,(H2,18,19,20)
InChIKeyJSMININYFXGSLQ-UHFFFAOYSA-N
MW348.84 g/mol
LogP1.65
Rot. Bonds3

About [2-amino-4-chloro-7-[(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol

[2-amino-4-chloro-7-[(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol (PubChem CID 90787494) has the molecular formula C16H21ClN6O and a molecular weight of 348.84 g/mol. Its IUPAC name is [2-amino-4-chloro-7-[(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-amino-4-chloro-7-[(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol
PubChem CID90787494
Molecular FormulaC16H21ClN6O
Molecular Weight348.84 g/mol
Exact Mass348.15
IUPAC Name[2-amino-4-chloro-7-[(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol
SMILESCc1c(CN2CC(CO)c3c(Cl)nc(N)nc32)nn2c1CCCC2
InChIInChI=1S/C16H21ClN6O/c1-9-11(21-23-5-3-2-4-12(9)23)7-22-6-10(8-24)13-14(17)19-16(18)20-15(13)22/h10,24H,2-8H2,1H3,(H2,18,19,20)
InChIKeyJSMININYFXGSLQ-UHFFFAOYSA-N
XLogP1.65
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.84
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-amino-4-chloro-7-[(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-amino-4-chloro-7-[(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol?
The IUPAC name of [2-amino-4-chloro-7-[(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol (CID 90787494) is [2-amino-4-chloro-7-[(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol.
What is the SMILES notation for [2-amino-4-chloro-7-[(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol?
The canonical SMILES for [2-amino-4-chloro-7-[(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol is Cc1c(CN2CC(CO)c3c(Cl)nc(N)nc32)nn2c1CCCC2.
What is the InChIKey of [2-amino-4-chloro-7-[(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol?
The InChIKey is JSMININYFXGSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN6O/c1-9-11(21-23-5-3-2-4-12(9)23)7-22-6-10(8-24)13-14(17)19-16(18)20-15(13)22/h10,24H,2-8H2,1H3,(H2,18,19,20).
What are the key properties of [2-amino-4-chloro-7-[(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol?
[2-amino-4-chloro-7-[(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol has a molecular weight of 348.84 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-chloro-7-[(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol is sourced from PubChem (CID 90787494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).