4-[(5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-methyl-2H-pyridin-2-ol

C14H16N6O — CID 90104081

IUPAC4-[(5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-methyl-2H-pyridin-2-ol
SMILESCN1C=CC(Nc2nc(C3CC3)nc3cn[nH]c23)=CC1O
InChIInChI=1S/C14H16N6O/c1-20-5-4-9(6-11(20)21)16-14-12-10(7-15-19-12)17-13(18-14)8-2-3-8/h4-8,11,21H,2-3H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyYLUIHAQIJIGCCX-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.30
Rot. Bonds3

About 4-[(5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-methyl-2H-pyridin-2-ol

4-[(5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-methyl-2H-pyridin-2-ol (PubChem CID 90104081) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-[(5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-methyl-2H-pyridin-2-ol.

Molecular Properties

Compound Name4-[(5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-methyl-2H-pyridin-2-ol
PubChem CID90104081
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name4-[(5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-methyl-2H-pyridin-2-ol
SMILESCN1C=CC(Nc2nc(C3CC3)nc3cn[nH]c23)=CC1O
InChIInChI=1S/C14H16N6O/c1-20-5-4-9(6-11(20)21)16-14-12-10(7-15-19-12)17-13(18-14)8-2-3-8/h4-8,11,21H,2-3H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyYLUIHAQIJIGCCX-UHFFFAOYSA-N
XLogP1.30
TPSA89.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-methyl-2H-pyridin-2-ol?
The IUPAC name of 4-[(5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-methyl-2H-pyridin-2-ol (CID 90104081) is 4-[(5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-methyl-2H-pyridin-2-ol.
What is the SMILES notation for 4-[(5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-methyl-2H-pyridin-2-ol?
The canonical SMILES for 4-[(5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-methyl-2H-pyridin-2-ol is CN1C=CC(Nc2nc(C3CC3)nc3cn[nH]c23)=CC1O.
What is the InChIKey of 4-[(5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-methyl-2H-pyridin-2-ol?
The InChIKey is YLUIHAQIJIGCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-20-5-4-9(6-11(20)21)16-14-12-10(7-15-19-12)17-13(18-14)8-2-3-8/h4-8,11,21H,2-3H2,1H3,(H,15,19)(H,16,17,18).
What are the key properties of 4-[(5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-methyl-2H-pyridin-2-ol?
4-[(5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-methyl-2H-pyridin-2-ol has a molecular weight of 284.32 g/mol, XLogP of 1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-methyl-2H-pyridin-2-ol is sourced from PubChem (CID 90104081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).