N-[(4-chloro-2-fluorophenyl)methyl]-5-(4-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

C23H21ClFN5 — CID 71072728

IUPACN-[(4-chloro-2-fluorophenyl)methyl]-5-(4-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESFc1cc(Cl)ccc1CNc1cc(-c2ccc(N3CCCC3)cc2)nc2ccnn12
InChIInChI=1S/C23H21ClFN5/c24-18-6-3-17(20(25)13-18)15-26-23-14-21(28-22-9-10-27-30(22)23)16-4-7-19(8-5-16)29-11-1-2-12-29/h3-10,13-14,26H,1-2,11-12,15H2
InChIKeyPYYPFRIRCDFBRU-UHFFFAOYSA-N
MW421.91 g/mol
LogP5.40
Rot. Bonds5

About N-[(4-chloro-2-fluorophenyl)methyl]-5-(4-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

N-[(4-chloro-2-fluorophenyl)methyl]-5-(4-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 71072728) has the molecular formula C23H21ClFN5 and a molecular weight of 421.91 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)methyl]-5-(4-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)methyl]-5-(4-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID71072728
Molecular FormulaC23H21ClFN5
Molecular Weight421.91 g/mol
Exact Mass421.15
IUPAC NameN-[(4-chloro-2-fluorophenyl)methyl]-5-(4-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESFc1cc(Cl)ccc1CNc1cc(-c2ccc(N3CCCC3)cc2)nc2ccnn12
InChIInChI=1S/C23H21ClFN5/c24-18-6-3-17(20(25)13-18)15-26-23-14-21(28-22-9-10-27-30(22)23)16-4-7-19(8-5-16)29-11-1-2-12-29/h3-10,13-14,26H,1-2,11-12,15H2
InChIKeyPYYPFRIRCDFBRU-UHFFFAOYSA-N
XLogP5.40
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.91
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-chloro-2-fluorophenyl)methyl]-5-(4-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-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-[(4-chloro-2-fluorophenyl)methyl]-5-(4-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-5-(4-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 71072728) is N-[(4-chloro-2-fluorophenyl)methyl]-5-(4-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)methyl]-5-(4-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)methyl]-5-(4-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is Fc1cc(Cl)ccc1CNc1cc(-c2ccc(N3CCCC3)cc2)nc2ccnn12.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)methyl]-5-(4-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is PYYPFRIRCDFBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN5/c24-18-6-3-17(20(25)13-18)15-26-23-14-21(28-22-9-10-27-30(22)23)16-4-7-19(8-5-16)29-11-1-2-12-29/h3-10,13-14,26H,1-2,11-12,15H2.
What are the key properties of N-[(4-chloro-2-fluorophenyl)methyl]-5-(4-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
N-[(4-chloro-2-fluorophenyl)methyl]-5-(4-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 421.91 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluorophenyl)methyl]-5-(4-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 71072728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).