(2R)-2-[[4-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-3-methylbutan-1-ol

C18H28N8O — CID 86765992

IUPAC(2R)-2-[[4-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-3-methylbutan-1-ol
SMILESCC(C)[C@H](CO)Nc1nc(Nc2cc(C(C)(C)C)n(C)n2)c2cn[nH]c2n1
InChIInChI=1S/C18H28N8O/c1-10(2)12(9-27)20-17-22-15(11-8-19-24-16(11)23-17)21-14-7-13(18(3,4)5)26(6)25-14/h7-8,10,12,27H,9H2,1-6H3,(H3,19,20,21,22,23,24,25)/t12-/m0/s1
InChIKeyRNQDYIXBGRKWPC-LBPRGKRZSA-N
MW372.48 g/mol
LogP2.56
Rot. Bonds6

About (2R)-2-[[4-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-3-methylbutan-1-ol

(2R)-2-[[4-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-3-methylbutan-1-ol (PubChem CID 86765992) has the molecular formula C18H28N8O and a molecular weight of 372.48 g/mol. Its IUPAC name is (2R)-2-[[4-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[4-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-3-methylbutan-1-ol
PubChem CID86765992
Molecular FormulaC18H28N8O
Molecular Weight372.48 g/mol
Exact Mass372.24
IUPAC Name(2R)-2-[[4-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-3-methylbutan-1-ol
SMILESCC(C)[C@H](CO)Nc1nc(Nc2cc(C(C)(C)C)n(C)n2)c2cn[nH]c2n1
InChIInChI=1S/C18H28N8O/c1-10(2)12(9-27)20-17-22-15(11-8-19-24-16(11)23-17)21-14-7-13(18(3,4)5)26(6)25-14/h7-8,10,12,27H,9H2,1-6H3,(H3,19,20,21,22,23,24,25)/t12-/m0/s1
InChIKeyRNQDYIXBGRKWPC-LBPRGKRZSA-N
XLogP2.56
TPSA116.57 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (2R)-2-[[4-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-3-methylbutan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-3-methylbutan-1-ol?
The IUPAC name of (2R)-2-[[4-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-3-methylbutan-1-ol (CID 86765992) is (2R)-2-[[4-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2R)-2-[[4-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-3-methylbutan-1-ol?
The canonical SMILES for (2R)-2-[[4-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-3-methylbutan-1-ol is CC(C)[C@H](CO)Nc1nc(Nc2cc(C(C)(C)C)n(C)n2)c2cn[nH]c2n1.
What is the InChIKey of (2R)-2-[[4-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-3-methylbutan-1-ol?
The InChIKey is RNQDYIXBGRKWPC-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H28N8O/c1-10(2)12(9-27)20-17-22-15(11-8-19-24-16(11)23-17)21-14-7-13(18(3,4)5)26(6)25-14/h7-8,10,12,27H,9H2,1-6H3,(H3,19,20,21,22,23,24,25)/t12-/m0/s1.
What are the key properties of (2R)-2-[[4-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-3-methylbutan-1-ol?
(2R)-2-[[4-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-3-methylbutan-1-ol has a molecular weight of 372.48 g/mol, XLogP of 2.56, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 86765992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).