(2S)-1-[[4-[1-propan-2-yl-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-ol

C19H22N8O — CID 25181759

IUPAC(2S)-1-[[4-[1-propan-2-yl-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-ol
SMILESCC(C)n1cc(-c2ccnc(NC[C@H](C)O)n2)c(-c2cnc3[nH]ncc3c2)n1
InChIInChI=1S/C19H22N8O/c1-11(2)27-10-15(16-4-5-20-19(24-16)22-7-12(3)28)17(26-27)13-6-14-9-23-25-18(14)21-8-13/h4-6,8-12,28H,7H2,1-3H3,(H,20,22,24)(H,21,23,25)/t12-/m0/s1
InChIKeyDQIHARVNOLGARF-LBPRGKRZSA-N
MW378.44 g/mol
LogP2.65
Rot. Bonds6

About (2S)-1-[[4-[1-propan-2-yl-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-ol

(2S)-1-[[4-[1-propan-2-yl-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-ol (PubChem CID 25181759) has the molecular formula C19H22N8O and a molecular weight of 378.44 g/mol. Its IUPAC name is (2S)-1-[[4-[1-propan-2-yl-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[4-[1-propan-2-yl-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-ol
PubChem CID25181759
Molecular FormulaC19H22N8O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC Name(2S)-1-[[4-[1-propan-2-yl-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-ol
SMILESCC(C)n1cc(-c2ccnc(NC[C@H](C)O)n2)c(-c2cnc3[nH]ncc3c2)n1
InChIInChI=1S/C19H22N8O/c1-11(2)27-10-15(16-4-5-20-19(24-16)22-7-12(3)28)17(26-27)13-6-14-9-23-25-18(14)21-8-13/h4-6,8-12,28H,7H2,1-3H3,(H,20,22,24)(H,21,23,25)/t12-/m0/s1
InChIKeyDQIHARVNOLGARF-LBPRGKRZSA-N
XLogP2.65
TPSA117.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2S)-1-[[4-[1-propan-2-yl-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[4-[1-propan-2-yl-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-ol?
The IUPAC name of (2S)-1-[[4-[1-propan-2-yl-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-ol (CID 25181759) is (2S)-1-[[4-[1-propan-2-yl-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[4-[1-propan-2-yl-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-[[4-[1-propan-2-yl-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-ol is CC(C)n1cc(-c2ccnc(NC[C@H](C)O)n2)c(-c2cnc3[nH]ncc3c2)n1.
What is the InChIKey of (2S)-1-[[4-[1-propan-2-yl-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-ol?
The InChIKey is DQIHARVNOLGARF-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H22N8O/c1-11(2)27-10-15(16-4-5-20-19(24-16)22-7-12(3)28)17(26-27)13-6-14-9-23-25-18(14)21-8-13/h4-6,8-12,28H,7H2,1-3H3,(H,20,22,24)(H,21,23,25)/t12-/m0/s1.
What are the key properties of (2S)-1-[[4-[1-propan-2-yl-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-ol?
(2S)-1-[[4-[1-propan-2-yl-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-ol has a molecular weight of 378.44 g/mol, XLogP of 2.65, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[4-[1-propan-2-yl-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-ol is sourced from PubChem (CID 25181759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).