(3R,4R)-4-[[[3-propan-2-yl-7-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol

C27H33N7O — CID 166529523

IUPAC(3R,4R)-4-[[[3-propan-2-yl-7-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
SMILESCC(C)c1cnn2c(NCc3ccc(-c4cccnc4)cc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12
InChIInChI=1S/C27H33N7O/c1-18(2)23-16-32-34-26(12-25(33-27(23)34)30-15-22-9-11-29-17-24(22)35)31-13-19-5-7-20(8-6-19)21-4-3-10-28-14-21/h3-8,10,12,14,16,18,22,24,29,31,35H,9,11,13,15,17H2,1-2H3,(H,30,33)/t22-,24+/m1/s1
InChIKeyDJMZUWUEYULGRB-VWNXMTODSA-N
MW471.61 g/mol
LogP3.91
Rot. Bonds8

About (3R,4R)-4-[[[3-propan-2-yl-7-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol

(3R,4R)-4-[[[3-propan-2-yl-7-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol (PubChem CID 166529523) has the molecular formula C27H33N7O and a molecular weight of 471.61 g/mol. Its IUPAC name is (3R,4R)-4-[[[3-propan-2-yl-7-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-[[[3-propan-2-yl-7-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
PubChem CID166529523
Molecular FormulaC27H33N7O
Molecular Weight471.61 g/mol
Exact Mass471.27
IUPAC Name(3R,4R)-4-[[[3-propan-2-yl-7-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
SMILESCC(C)c1cnn2c(NCc3ccc(-c4cccnc4)cc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12
InChIInChI=1S/C27H33N7O/c1-18(2)23-16-32-34-26(12-25(33-27(23)34)30-15-22-9-11-29-17-24(22)35)31-13-19-5-7-20(8-6-19)21-4-3-10-28-14-21/h3-8,10,12,14,16,18,22,24,29,31,35H,9,11,13,15,17H2,1-2H3,(H,30,33)/t22-,24+/m1/s1
InChIKeyDJMZUWUEYULGRB-VWNXMTODSA-N
XLogP3.91
TPSA99.40 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 53.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (3R,4R)-4-[[[3-propan-2-yl-7-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[[[3-propan-2-yl-7-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol?
The IUPAC name of (3R,4R)-4-[[[3-propan-2-yl-7-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol (CID 166529523) is (3R,4R)-4-[[[3-propan-2-yl-7-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-[[[3-propan-2-yl-7-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-[[[3-propan-2-yl-7-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol is CC(C)c1cnn2c(NCc3ccc(-c4cccnc4)cc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12.
What is the InChIKey of (3R,4R)-4-[[[3-propan-2-yl-7-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol?
The InChIKey is DJMZUWUEYULGRB-VWNXMTODSA-N. The full InChI is InChI=1S/C27H33N7O/c1-18(2)23-16-32-34-26(12-25(33-27(23)34)30-15-22-9-11-29-17-24(22)35)31-13-19-5-7-20(8-6-19)21-4-3-10-28-14-21/h3-8,10,12,14,16,18,22,24,29,31,35H,9,11,13,15,17H2,1-2H3,(H,30,33)/t22-,24+/m1/s1.
What are the key properties of (3R,4R)-4-[[[3-propan-2-yl-7-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol?
(3R,4R)-4-[[[3-propan-2-yl-7-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol has a molecular weight of 471.61 g/mol, XLogP of 3.91, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[[[3-propan-2-yl-7-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol is sourced from PubChem (CID 166529523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).