(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone

C17H14BrN5O — CID 59660664

IUPAC(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1cc2ncc(Br)cn2n1)N1CCC=C(c2ccccn2)C1
InChIInChI=1S/C17H14BrN5O/c18-13-9-20-16-8-15(21-23(16)11-13)17(24)22-7-3-4-12(10-22)14-5-1-2-6-19-14/h1-2,4-6,8-9,11H,3,7,10H2
InChIKeyNTMBSNNDYXUJCH-UHFFFAOYSA-N
MW384.24 g/mol
LogP2.82
Rot. Bonds2

About (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone

(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 59660664) has the molecular formula C17H14BrN5O and a molecular weight of 384.24 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID59660664
Molecular FormulaC17H14BrN5O
Molecular Weight384.24 g/mol
Exact Mass383.04
IUPAC Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1cc2ncc(Br)cn2n1)N1CCC=C(c2ccccn2)C1
InChIInChI=1S/C17H14BrN5O/c18-13-9-20-16-8-15(21-23(16)11-13)17(24)22-7-3-4-12(10-22)14-5-1-2-6-19-14/h1-2,4-6,8-9,11H,3,7,10H2
InChIKeyNTMBSNNDYXUJCH-UHFFFAOYSA-N
XLogP2.82
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.24
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone 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 (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 59660664) is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone is O=C(c1cc2ncc(Br)cn2n1)N1CCC=C(c2ccccn2)C1.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is NTMBSNNDYXUJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN5O/c18-13-9-20-16-8-15(21-23(16)11-13)17(24)22-7-3-4-12(10-22)14-5-1-2-6-19-14/h1-2,4-6,8-9,11H,3,7,10H2.
What are the key properties of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 384.24 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 59660664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).