(1S,5R)-3-[7-amino-6-cyclopropyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide

C28H29N7O2 — CID 87343802

IUPAC(1S,5R)-3-[7-amino-6-cyclopropyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESNc1c(C2CC2)c(C2C[C@H]3CC[C@@H](C2)N3C(=O)NO)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12
InChIInChI=1S/C28H29N7O2/c29-26-24(17-6-7-17)25(19-12-20-9-10-21(13-19)34(20)28(36)33-37)32-27-22(15-31-35(26)27)18-8-11-23(30-14-18)16-4-2-1-3-5-16/h1-5,8,11,14-15,17,19-21,37H,6-7,9-10,12-13,29H2,(H,33,36)/t19?,20-,21+
InChIKeyDXSFZQSXXBSUAH-SEJPIABJSA-N
MW495.59 g/mol
LogP4.73
Rot. Bonds4

About (1S,5R)-3-[7-amino-6-cyclopropyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide

(1S,5R)-3-[7-amino-6-cyclopropyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 87343802) has the molecular formula C28H29N7O2 and a molecular weight of 495.59 g/mol. Its IUPAC name is (1S,5R)-3-[7-amino-6-cyclopropyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound Name(1S,5R)-3-[7-amino-6-cyclopropyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID87343802
Molecular FormulaC28H29N7O2
Molecular Weight495.59 g/mol
Exact Mass495.24
IUPAC Name(1S,5R)-3-[7-amino-6-cyclopropyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESNc1c(C2CC2)c(C2C[C@H]3CC[C@@H](C2)N3C(=O)NO)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12
InChIInChI=1S/C28H29N7O2/c29-26-24(17-6-7-17)25(19-12-20-9-10-21(13-19)34(20)28(36)33-37)32-27-22(15-31-35(26)27)18-8-11-23(30-14-18)16-4-2-1-3-5-16/h1-5,8,11,14-15,17,19-21,37H,6-7,9-10,12-13,29H2,(H,33,36)/t19?,20-,21+
InChIKeyDXSFZQSXXBSUAH-SEJPIABJSA-N
XLogP4.73
TPSA121.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.59
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1S,5R)-3-[7-amino-6-cyclopropyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide 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 (1S,5R)-3-[7-amino-6-cyclopropyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of (1S,5R)-3-[7-amino-6-cyclopropyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 87343802) is (1S,5R)-3-[7-amino-6-cyclopropyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for (1S,5R)-3-[7-amino-6-cyclopropyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for (1S,5R)-3-[7-amino-6-cyclopropyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide is Nc1c(C2CC2)c(C2C[C@H]3CC[C@@H](C2)N3C(=O)NO)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.
What is the InChIKey of (1S,5R)-3-[7-amino-6-cyclopropyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is DXSFZQSXXBSUAH-SEJPIABJSA-N. The full InChI is InChI=1S/C28H29N7O2/c29-26-24(17-6-7-17)25(19-12-20-9-10-21(13-19)34(20)28(36)33-37)32-27-22(15-31-35(26)27)18-8-11-23(30-14-18)16-4-2-1-3-5-16/h1-5,8,11,14-15,17,19-21,37H,6-7,9-10,12-13,29H2,(H,33,36)/t19?,20-,21+.
What are the key properties of (1S,5R)-3-[7-amino-6-cyclopropyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
(1S,5R)-3-[7-amino-6-cyclopropyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 495.59 g/mol, XLogP of 4.73, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-[7-amino-6-cyclopropyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 87343802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).