4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]adamantan-1-ol

C19H24N8O — CID 166926169

IUPAC4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]adamantan-1-ol
SMILESCc1cc(Nc2nc(NC3C4CC5CC3CC(O)(C5)C4)nc3[nH]ncc23)n[nH]1
InChIInChI=1S/C19H24N8O/c1-9-2-14(26-25-9)21-16-13-8-20-27-17(13)24-18(23-16)22-15-11-3-10-4-12(15)7-19(28,5-10)6-11/h2,8,10-12,15,28H,3-7H2,1H3,(H4,20,21,22,23,24,25,26,27)
InChIKeyVNNXYZHRAMMRNH-UHFFFAOYSA-N
MW380.46 g/mol
LogP2.48
Rot. Bonds4

About 4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]adamantan-1-ol

4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]adamantan-1-ol (PubChem CID 166926169) has the molecular formula C19H24N8O and a molecular weight of 380.46 g/mol. Its IUPAC name is 4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]adamantan-1-ol.

Molecular Properties

Compound Name4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]adamantan-1-ol
PubChem CID166926169
Molecular FormulaC19H24N8O
Molecular Weight380.46 g/mol
Exact Mass380.21
IUPAC Name4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]adamantan-1-ol
SMILESCc1cc(Nc2nc(NC3C4CC5CC3CC(O)(C5)C4)nc3[nH]ncc23)n[nH]1
InChIInChI=1S/C19H24N8O/c1-9-2-14(26-25-9)21-16-13-8-20-27-17(13)24-18(23-16)22-15-11-3-10-4-12(15)7-19(28,5-10)6-11/h2,8,10-12,15,28H,3-7H2,1H3,(H4,20,21,22,23,24,25,26,27)
InChIKeyVNNXYZHRAMMRNH-UHFFFAOYSA-N
XLogP2.48
TPSA127.43 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 52.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]adamantan-1-ol?
The IUPAC name of 4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]adamantan-1-ol (CID 166926169) is 4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]adamantan-1-ol.
What is the SMILES notation for 4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]adamantan-1-ol?
The canonical SMILES for 4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]adamantan-1-ol is Cc1cc(Nc2nc(NC3C4CC5CC3CC(O)(C5)C4)nc3[nH]ncc23)n[nH]1.
What is the InChIKey of 4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]adamantan-1-ol?
The InChIKey is VNNXYZHRAMMRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O/c1-9-2-14(26-25-9)21-16-13-8-20-27-17(13)24-18(23-16)22-15-11-3-10-4-12(15)7-19(28,5-10)6-11/h2,8,10-12,15,28H,3-7H2,1H3,(H4,20,21,22,23,24,25,26,27).
What are the key properties of 4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]adamantan-1-ol?
4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]adamantan-1-ol has a molecular weight of 380.46 g/mol, XLogP of 2.48, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]adamantan-1-ol is sourced from PubChem (CID 166926169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).