[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]piperidin-2-yl]methanol

C17H22N8O — CID 86765984

IUPAC[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cn[nH]c2n1
InChIInChI=1S/C17H22N8O/c26-9-11-3-1-2-6-25(11)17-20-15(12-8-18-24-16(12)21-17)19-14-7-13(22-23-14)10-4-5-10/h7-8,10-11,26H,1-6,9H2,(H3,18,19,20,21,22,23,24)
InChIKeyYKDFQYJWKSLGGG-UHFFFAOYSA-N
MW354.42 g/mol
LogP2.05
Rot. Bonds5

About [1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]piperidin-2-yl]methanol

[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]piperidin-2-yl]methanol (PubChem CID 86765984) has the molecular formula C17H22N8O and a molecular weight of 354.42 g/mol. Its IUPAC name is [1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]piperidin-2-yl]methanol
PubChem CID86765984
Molecular FormulaC17H22N8O
Molecular Weight354.42 g/mol
Exact Mass354.19
IUPAC Name[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cn[nH]c2n1
InChIInChI=1S/C17H22N8O/c26-9-11-3-1-2-6-25(11)17-20-15(12-8-18-24-16(12)21-17)19-14-7-13(22-23-14)10-4-5-10/h7-8,10-11,26H,1-6,9H2,(H3,18,19,20,21,22,23,24)
InChIKeyYKDFQYJWKSLGGG-UHFFFAOYSA-N
XLogP2.05
TPSA118.64 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 52.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]piperidin-2-yl]methanol?
The IUPAC name of [1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]piperidin-2-yl]methanol (CID 86765984) is [1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]piperidin-2-yl]methanol is OCC1CCCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cn[nH]c2n1.
What is the InChIKey of [1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]piperidin-2-yl]methanol?
The InChIKey is YKDFQYJWKSLGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8O/c26-9-11-3-1-2-6-25(11)17-20-15(12-8-18-24-16(12)21-17)19-14-7-13(22-23-14)10-4-5-10/h7-8,10-11,26H,1-6,9H2,(H3,18,19,20,21,22,23,24).
What are the key properties of [1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]piperidin-2-yl]methanol?
[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]piperidin-2-yl]methanol has a molecular weight of 354.42 g/mol, XLogP of 2.05, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]piperidin-2-yl]methanol is sourced from PubChem (CID 86765984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).