(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(7-chloro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone

C16H13BrClN5O — CID 67589011

IUPAC(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(7-chloro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone
SMILESCN1c2cc(Cl)ccc2CCN1C(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C16H13BrClN5O/c1-21-14-6-12(18)3-2-10(14)4-5-23(21)16(24)13-7-15-19-8-11(17)9-22(15)20-13/h2-3,6-9H,4-5H2,1H3
InChIKeyUSEWFLRWTKXGFG-UHFFFAOYSA-N
MW406.67 g/mol
LogP3.19
Rot. Bonds1

About (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(7-chloro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone

(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(7-chloro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone (PubChem CID 67589011) has the molecular formula C16H13BrClN5O and a molecular weight of 406.67 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(7-chloro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(7-chloro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone
PubChem CID67589011
Molecular FormulaC16H13BrClN5O
Molecular Weight406.67 g/mol
Exact Mass405.00
IUPAC Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(7-chloro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone
SMILESCN1c2cc(Cl)ccc2CCN1C(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C16H13BrClN5O/c1-21-14-6-12(18)3-2-10(14)4-5-23(21)16(24)13-7-15-19-8-11(17)9-22(15)20-13/h2-3,6-9H,4-5H2,1H3
InChIKeyUSEWFLRWTKXGFG-UHFFFAOYSA-N
XLogP3.19
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.67
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(5-fluoro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone
CID 66846429
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1,8-dimethyl-3,4-dihydrocinnolin-2-yl)methanone
CID 66846297
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-3,4-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl)methanone
CID 66846899
(6-bromo-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 24810730
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 58416501
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1,6-dimethyl-3,4-dihydrocinnolin-2-yl)methanone
CID 68798683
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(8-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 24810413
(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(6-chloro-1-methyl-4,5-dihydro-3H-pyrrolo[3,2-c]pyridazin-2-yl)methanone
CID 70975699
(6-bromo-1-methyl-4,5-dihydro-3H-pyrrolo[3,2-c]pyridazin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone
CID 68801998
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(7-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 24810686
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 24810632
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone
CID 689338

Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(7-chloro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(7-chloro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone (CID 67589011) is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(7-chloro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone.
What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(7-chloro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(7-chloro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone is CN1c2cc(Cl)ccc2CCN1C(=O)c1cc2ncc(Br)cn2n1.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(7-chloro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone?
The InChIKey is USEWFLRWTKXGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClN5O/c1-21-14-6-12(18)3-2-10(14)4-5-23(21)16(24)13-7-15-19-8-11(17)9-22(15)20-13/h2-3,6-9H,4-5H2,1H3.
What are the key properties of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(7-chloro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone?
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(7-chloro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone has a molecular weight of 406.67 g/mol, XLogP of 3.19, 1 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)-(7-chloro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone is sourced from PubChem (CID 67589011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).