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

C26H29FN8O — CID 172513754

IUPAC(3R,4R)-4-[[[3-cyclopropyl-7-[(4-fluoro-5-pyridin-2-yl-2-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
SMILESO[C@H]1CNCC[C@@H]1CNc1cc(NCc2cc(F)c(-c3ccccn3)cn2)n2ncc(C3CC3)c2n1
InChIInChI=1S/C26H29FN8O/c27-21-9-18(30-13-20(21)22-3-1-2-7-29-22)12-32-25-10-24(31-11-17-6-8-28-15-23(17)36)34-26-19(16-4-5-16)14-33-35(25)26/h1-3,7,9-10,13-14,16-17,23,28,32,36H,4-6,8,11-12,15H2,(H,31,34)/t17-,23+/m1/s1
InChIKeyAUTGHESSKSJEPG-HXOBKFHXSA-N
MW488.57 g/mol
LogP3.20
Rot. Bonds8

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

(3R,4R)-4-[[[3-cyclopropyl-7-[(4-fluoro-5-pyridin-2-yl-2-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol (PubChem CID 172513754) has the molecular formula C26H29FN8O and a molecular weight of 488.57 g/mol. Its IUPAC name is (3R,4R)-4-[[[3-cyclopropyl-7-[(4-fluoro-5-pyridin-2-yl-2-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-[[[3-cyclopropyl-7-[(4-fluoro-5-pyridin-2-yl-2-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
PubChem CID172513754
Molecular FormulaC26H29FN8O
Molecular Weight488.57 g/mol
Exact Mass488.24
IUPAC Name(3R,4R)-4-[[[3-cyclopropyl-7-[(4-fluoro-5-pyridin-2-yl-2-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
SMILESO[C@H]1CNCC[C@@H]1CNc1cc(NCc2cc(F)c(-c3ccccn3)cn2)n2ncc(C3CC3)c2n1
InChIInChI=1S/C26H29FN8O/c27-21-9-18(30-13-20(21)22-3-1-2-7-29-22)12-32-25-10-24(31-11-17-6-8-28-15-23(17)36)34-26-19(16-4-5-16)14-33-35(25)26/h1-3,7,9-10,13-14,16-17,23,28,32,36H,4-6,8,11-12,15H2,(H,31,34)/t17-,23+/m1/s1
InChIKeyAUTGHESSKSJEPG-HXOBKFHXSA-N
XLogP3.20
TPSA112.29 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 53.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (3R,4R)-4-[[[3-cyclopropyl-7-[(4-fluoro-5-pyridin-2-yl-2-pyridinyl)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-cyclopropyl-7-[(4-fluoro-5-pyridin-2-yl-2-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol?
The IUPAC name of (3R,4R)-4-[[[3-cyclopropyl-7-[(4-fluoro-5-pyridin-2-yl-2-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol (CID 172513754) is (3R,4R)-4-[[[3-cyclopropyl-7-[(4-fluoro-5-pyridin-2-yl-2-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-[[[3-cyclopropyl-7-[(4-fluoro-5-pyridin-2-yl-2-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-[[[3-cyclopropyl-7-[(4-fluoro-5-pyridin-2-yl-2-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol is O[C@H]1CNCC[C@@H]1CNc1cc(NCc2cc(F)c(-c3ccccn3)cn2)n2ncc(C3CC3)c2n1.
What is the InChIKey of (3R,4R)-4-[[[3-cyclopropyl-7-[(4-fluoro-5-pyridin-2-yl-2-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol?
The InChIKey is AUTGHESSKSJEPG-HXOBKFHXSA-N. The full InChI is InChI=1S/C26H29FN8O/c27-21-9-18(30-13-20(21)22-3-1-2-7-29-22)12-32-25-10-24(31-11-17-6-8-28-15-23(17)36)34-26-19(16-4-5-16)14-33-35(25)26/h1-3,7,9-10,13-14,16-17,23,28,32,36H,4-6,8,11-12,15H2,(H,31,34)/t17-,23+/m1/s1.
What are the key properties of (3R,4R)-4-[[[3-cyclopropyl-7-[(4-fluoro-5-pyridin-2-yl-2-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol?
(3R,4R)-4-[[[3-cyclopropyl-7-[(4-fluoro-5-pyridin-2-yl-2-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol has a molecular weight of 488.57 g/mol, XLogP of 3.20, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[[[3-cyclopropyl-7-[(4-fluoro-5-pyridin-2-yl-2-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol is sourced from PubChem (CID 172513754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).