4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidine-1-carboxamide

C19H20BrClN6O — CID 21066310

IUPAC4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(CNc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)CC1
InChIInChI=1S/C19H20BrClN6O/c20-14-11-24-27-17(23-10-12-5-7-26(8-6-12)19(22)28)9-16(25-18(14)27)13-3-1-2-4-15(13)21/h1-4,9,11-12,23H,5-8,10H2,(H2,22,28)
InChIKeyOXTGVBZVABBYHU-UHFFFAOYSA-N
MW463.77 g/mol
LogP4.01
Rot. Bonds4

About 4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidine-1-carboxamide

4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidine-1-carboxamide (PubChem CID 21066310) has the molecular formula C19H20BrClN6O and a molecular weight of 463.77 g/mol. Its IUPAC name is 4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidine-1-carboxamide
PubChem CID21066310
Molecular FormulaC19H20BrClN6O
Molecular Weight463.77 g/mol
Exact Mass462.06
IUPAC Name4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(CNc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)CC1
InChIInChI=1S/C19H20BrClN6O/c20-14-11-24-27-17(23-10-12-5-7-26(8-6-12)19(22)28)9-16(25-18(14)27)13-3-1-2-4-15(13)21/h1-4,9,11-12,23H,5-8,10H2,(H2,22,28)
InChIKeyOXTGVBZVABBYHU-UHFFFAOYSA-N
XLogP4.01
TPSA88.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.77
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidine-1-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 4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidine-1-carboxamide?
The IUPAC name of 4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidine-1-carboxamide (CID 21066310) is 4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidine-1-carboxamide is NC(=O)N1CCC(CNc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)CC1.
What is the InChIKey of 4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidine-1-carboxamide?
The InChIKey is OXTGVBZVABBYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrClN6O/c20-14-11-24-27-17(23-10-12-5-7-26(8-6-12)19(22)28)9-16(25-18(14)27)13-3-1-2-4-15(13)21/h1-4,9,11-12,23H,5-8,10H2,(H2,22,28).
What are the key properties of 4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidine-1-carboxamide?
4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidine-1-carboxamide has a molecular weight of 463.77 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 21066310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).