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

C25H33N9O — CID 156526107

IUPAC(3R,4R)-4-[[[7-[(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
SMILESCC(C)c1cnn2c(NCc3nc4cc(C5CC5)ccn4n3)cc(NC[C@H]3CCNC[C@@H]3O)nc12
InChIInChI=1S/C25H33N9O/c1-15(2)19-12-29-34-23(10-21(31-25(19)34)27-11-18-5-7-26-13-20(18)35)28-14-22-30-24-9-17(16-3-4-16)6-8-33(24)32-22/h6,8-10,12,15-16,18,20,26,28,35H,3-5,7,11,13-14H2,1-2H3,(H,27,31)/t18-,20+/m1/s1
InChIKeyRXLOGDAYDFDLGX-QUCCMNQESA-N
MW475.60 g/mol
LogP2.77
Rot. Bonds8

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

(3R,4R)-4-[[[7-[(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol (PubChem CID 156526107) has the molecular formula C25H33N9O and a molecular weight of 475.60 g/mol. Its IUPAC name is (3R,4R)-4-[[[7-[(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-[[[7-[(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
PubChem CID156526107
Molecular FormulaC25H33N9O
Molecular Weight475.60 g/mol
Exact Mass475.28
IUPAC Name(3R,4R)-4-[[[7-[(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
SMILESCC(C)c1cnn2c(NCc3nc4cc(C5CC5)ccn4n3)cc(NC[C@H]3CCNC[C@@H]3O)nc12
InChIInChI=1S/C25H33N9O/c1-15(2)19-12-29-34-23(10-21(31-25(19)34)27-11-18-5-7-26-13-20(18)35)28-14-22-30-24-9-17(16-3-4-16)6-8-33(24)32-22/h6,8-10,12,15-16,18,20,26,28,35H,3-5,7,11,13-14H2,1-2H3,(H,27,31)/t18-,20+/m1/s1
InChIKeyRXLOGDAYDFDLGX-QUCCMNQESA-N
XLogP2.77
TPSA116.70 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.60
LogP ≤ 52.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[[[7-[(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol?
The IUPAC name of (3R,4R)-4-[[[7-[(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol (CID 156526107) is (3R,4R)-4-[[[7-[(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-[[[7-[(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-[[[7-[(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol is CC(C)c1cnn2c(NCc3nc4cc(C5CC5)ccn4n3)cc(NC[C@H]3CCNC[C@@H]3O)nc12.
What is the InChIKey of (3R,4R)-4-[[[7-[(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol?
The InChIKey is RXLOGDAYDFDLGX-QUCCMNQESA-N. The full InChI is InChI=1S/C25H33N9O/c1-15(2)19-12-29-34-23(10-21(31-25(19)34)27-11-18-5-7-26-13-20(18)35)28-14-22-30-24-9-17(16-3-4-16)6-8-33(24)32-22/h6,8-10,12,15-16,18,20,26,28,35H,3-5,7,11,13-14H2,1-2H3,(H,27,31)/t18-,20+/m1/s1.
What are the key properties of (3R,4R)-4-[[[7-[(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol?
(3R,4R)-4-[[[7-[(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol has a molecular weight of 475.60 g/mol, XLogP of 2.77, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[[[7-[(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol is sourced from PubChem (CID 156526107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).