N-cyclopentyl-4-[2-(4-fluorophenyl)-6-(triethoxymethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine

C29H34FN5O3 — CID 22174844

IUPACN-cyclopentyl-4-[2-(4-fluorophenyl)-6-(triethoxymethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCCOC(OCC)(OCC)c1ccc2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nn2c1
InChIInChI=1S/C29H34FN5O3/c1-4-36-29(37-5-2,38-6-3)21-13-16-25-26(24-17-18-31-28(33-24)32-23-9-7-8-10-23)27(34-35(25)19-21)20-11-14-22(30)15-12-20/h11-19,23H,4-10H2,1-3H3,(H,31,32,33)
InChIKeyHJXDOHUYWQPBAV-UHFFFAOYSA-N
MW519.62 g/mol
LogP6.17
Rot. Bonds11

About N-cyclopentyl-4-[2-(4-fluorophenyl)-6-(triethoxymethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine

N-cyclopentyl-4-[2-(4-fluorophenyl)-6-(triethoxymethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 22174844) has the molecular formula C29H34FN5O3 and a molecular weight of 519.62 g/mol. Its IUPAC name is N-cyclopentyl-4-[2-(4-fluorophenyl)-6-(triethoxymethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-4-[2-(4-fluorophenyl)-6-(triethoxymethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID22174844
Molecular FormulaC29H34FN5O3
Molecular Weight519.62 g/mol
Exact Mass519.26
IUPAC NameN-cyclopentyl-4-[2-(4-fluorophenyl)-6-(triethoxymethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCCOC(OCC)(OCC)c1ccc2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nn2c1
InChIInChI=1S/C29H34FN5O3/c1-4-36-29(37-5-2,38-6-3)21-13-16-25-26(24-17-18-31-28(33-24)32-23-9-7-8-10-23)27(34-35(25)19-21)20-11-14-22(30)15-12-20/h11-19,23H,4-10H2,1-3H3,(H,31,32,33)
InChIKeyHJXDOHUYWQPBAV-UHFFFAOYSA-N
XLogP6.17
TPSA82.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.62
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-cyclopentyl-4-[2-(4-fluorophenyl)-6-(triethoxymethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine 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 N-cyclopentyl-4-[2-(4-fluorophenyl)-6-(triethoxymethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-cyclopentyl-4-[2-(4-fluorophenyl)-6-(triethoxymethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine (CID 22174844) is N-cyclopentyl-4-[2-(4-fluorophenyl)-6-(triethoxymethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclopentyl-4-[2-(4-fluorophenyl)-6-(triethoxymethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-cyclopentyl-4-[2-(4-fluorophenyl)-6-(triethoxymethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine is CCOC(OCC)(OCC)c1ccc2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nn2c1.
What is the InChIKey of N-cyclopentyl-4-[2-(4-fluorophenyl)-6-(triethoxymethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is HJXDOHUYWQPBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN5O3/c1-4-36-29(37-5-2,38-6-3)21-13-16-25-26(24-17-18-31-28(33-24)32-23-9-7-8-10-23)27(34-35(25)19-21)20-11-14-22(30)15-12-20/h11-19,23H,4-10H2,1-3H3,(H,31,32,33).
What are the key properties of N-cyclopentyl-4-[2-(4-fluorophenyl)-6-(triethoxymethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine?
N-cyclopentyl-4-[2-(4-fluorophenyl)-6-(triethoxymethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 519.62 g/mol, XLogP of 6.17, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[2-(4-fluorophenyl)-6-(triethoxymethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 22174844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).