(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-4,5,7,8-tetrahydroimidazo[4,5-d]azepin-6-yl)methanone

C15H15BrN6O — CID 71748082

IUPAC(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-4,5,7,8-tetrahydroimidazo[4,5-d]azepin-6-yl)methanone
SMILESCn1cnc2c1CCN(C(=O)c1cc3ncc(Br)cn3n1)CC2
InChIInChI=1S/C15H15BrN6O/c1-20-9-18-11-2-4-21(5-3-13(11)20)15(23)12-6-14-17-7-10(16)8-22(14)19-12/h6-9H,2-5H2,1H3
InChIKeyHTTCOCDHRFMKBF-UHFFFAOYSA-N
MW375.23 g/mol
LogP1.47
Rot. Bonds1

About (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-4,5,7,8-tetrahydroimidazo[4,5-d]azepin-6-yl)methanone

(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-4,5,7,8-tetrahydroimidazo[4,5-d]azepin-6-yl)methanone (PubChem CID 71748082) has the molecular formula C15H15BrN6O and a molecular weight of 375.23 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-4,5,7,8-tetrahydroimidazo[4,5-d]azepin-6-yl)methanone.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-4,5,7,8-tetrahydroimidazo[4,5-d]azepin-6-yl)methanone
PubChem CID71748082
Molecular FormulaC15H15BrN6O
Molecular Weight375.23 g/mol
Exact Mass374.05
IUPAC Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-4,5,7,8-tetrahydroimidazo[4,5-d]azepin-6-yl)methanone
SMILESCn1cnc2c1CCN(C(=O)c1cc3ncc(Br)cn3n1)CC2
InChIInChI=1S/C15H15BrN6O/c1-20-9-18-11-2-4-21(5-3-13(11)20)15(23)12-6-14-17-7-10(16)8-22(14)19-12/h6-9H,2-5H2,1H3
InChIKeyHTTCOCDHRFMKBF-UHFFFAOYSA-N
XLogP1.47
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-4,5,7,8-tetrahydroimidazo[4,5-d]azepin-6-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

Related Compounds

(6-Bromo-pyrazolo[1,5-a]pyrimidin-2-yl)-(2-ethyl-4,5,7,8-tetrahydro-thiazolo[4,5-d]azepin-6-yl)-methanone
CID 71739469
(6-Bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)methanone
CID 71748080
(6-Bromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone
CID 2842282
(6-Bromo-pyrazolo[1,5-a]pyrimidin-2-yl)-(4,5,7,8-tetrahydro-thiazolo[4,5-d]azepin-6-yl)-methanone
CID 71748045
(6-Bromo-pyrazolo[1,5-a]pyrimidin-2-yl)-(2-isopropyl-4,5,7,8-tetrahydro-thiazolo[4,5-d]azepin-6-yl)-methanone
CID 71748064
6-(6-Bromo-pyrazolo[1,5-a]pyrimidine-2-carbonyl)-3-methyl-3,4,5,6,7,8-hexahydro-thiazolo[4,5-d]azepin-2-one
CID 71748083
(6-Bromopyrazolo[1,5-a]pyrimidin-2-yl)(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methanone
CID 2979122
(6-Bromopyrazolo[1,5-a]pyrimidin-2-yl)(2-ethylpiperidin-1-yl)methanone
CID 2981648
6-bromo-N-[(1-methyl-1H-pyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4775968
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-(2-fluoro-3,4-dihydropyridin-3-yl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 67588896
6-bromo-N-[3-(1H-imidazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2980525
6-bromo-N-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4776096

Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-4,5,7,8-tetrahydroimidazo[4,5-d]azepin-6-yl)methanone?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-4,5,7,8-tetrahydroimidazo[4,5-d]azepin-6-yl)methanone (CID 71748082) is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-4,5,7,8-tetrahydroimidazo[4,5-d]azepin-6-yl)methanone.
What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-4,5,7,8-tetrahydroimidazo[4,5-d]azepin-6-yl)methanone?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-4,5,7,8-tetrahydroimidazo[4,5-d]azepin-6-yl)methanone is Cn1cnc2c1CCN(C(=O)c1cc3ncc(Br)cn3n1)CC2.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-4,5,7,8-tetrahydroimidazo[4,5-d]azepin-6-yl)methanone?
The InChIKey is HTTCOCDHRFMKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN6O/c1-20-9-18-11-2-4-21(5-3-13(11)20)15(23)12-6-14-17-7-10(16)8-22(14)19-12/h6-9H,2-5H2,1H3.
What are the key properties of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-4,5,7,8-tetrahydroimidazo[4,5-d]azepin-6-yl)methanone?
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-4,5,7,8-tetrahydroimidazo[4,5-d]azepin-6-yl)methanone has a molecular weight of 375.23 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-4,5,7,8-tetrahydroimidazo[4,5-d]azepin-6-yl)methanone is sourced from PubChem (CID 71748082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).