(6-bromopyrazolo[1,5-a]pyridin-2-yl)-[1-methyl-5-(trifluoromethyl)-3,4-dihydrocinnolin-2-yl]methanone

C18H14BrF3N4O — CID 68797612

IUPAC(6-bromopyrazolo[1,5-a]pyridin-2-yl)-[1-methyl-5-(trifluoromethyl)-3,4-dihydrocinnolin-2-yl]methanone
SMILESCN1c2cccc(C(F)(F)F)c2CCN1C(=O)c1cc2ccc(Br)cn2n1
InChIInChI=1S/C18H14BrF3N4O/c1-24-16-4-2-3-14(18(20,21)22)13(16)7-8-26(24)17(27)15-9-12-6-5-11(19)10-25(12)23-15/h2-6,9-10H,7-8H2,1H3
InChIKeyKUUDGXYOZYVMQC-UHFFFAOYSA-N
MW439.24 g/mol
LogP4.17
Rot. Bonds1

About (6-bromopyrazolo[1,5-a]pyridin-2-yl)-[1-methyl-5-(trifluoromethyl)-3,4-dihydrocinnolin-2-yl]methanone

(6-bromopyrazolo[1,5-a]pyridin-2-yl)-[1-methyl-5-(trifluoromethyl)-3,4-dihydrocinnolin-2-yl]methanone (PubChem CID 68797612) has the molecular formula C18H14BrF3N4O and a molecular weight of 439.24 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyridin-2-yl)-[1-methyl-5-(trifluoromethyl)-3,4-dihydrocinnolin-2-yl]methanone.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyridin-2-yl)-[1-methyl-5-(trifluoromethyl)-3,4-dihydrocinnolin-2-yl]methanone
PubChem CID68797612
Molecular FormulaC18H14BrF3N4O
Molecular Weight439.24 g/mol
Exact Mass438.03
IUPAC Name(6-bromopyrazolo[1,5-a]pyridin-2-yl)-[1-methyl-5-(trifluoromethyl)-3,4-dihydrocinnolin-2-yl]methanone
SMILESCN1c2cccc(C(F)(F)F)c2CCN1C(=O)c1cc2ccc(Br)cn2n1
InChIInChI=1S/C18H14BrF3N4O/c1-24-16-4-2-3-14(18(20,21)22)13(16)7-8-26(24)17(27)15-9-12-6-5-11(19)10-25(12)23-15/h2-6,9-10H,7-8H2,1H3
InChIKeyKUUDGXYOZYVMQC-UHFFFAOYSA-N
XLogP4.17
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.24
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(5-fluoro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone
CID 68802236
(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,7-dimethyl-4,5-dihydro-3H-pyrrolo[3,2-c]pyridazin-2-yl)methanone
CID 68801440
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(5-fluoro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone
CID 66846429
(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-chloropyrazolo[1,5-a]pyridin-2-yl)-(1,6-dimethyl-3,4-dihydrocinnolin-2-yl)methanone
CID 68798683
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[5-(2-fluoro-4-pyridinyl)-1-methyl-3,4-dihydrocinnolin-2-yl]methanone
CID 66846584
N-[2-(6-chloropyrazolo[1,5-a]pyridine-2-carbonyl)-1-methyl-3,4-dihydrocinnolin-8-yl]acetamide
CID 68801997
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-6-methylsulfonyl-3,4-dihydrocinnolin-2-yl)methanone
CID 68799935
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(7-chloro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone
CID 67589011
(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 68801630
(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,5-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(7-chloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone
CID 87675194
(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(6-hydroxy-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 68798702

Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyridin-2-yl)-[1-methyl-5-(trifluoromethyl)-3,4-dihydrocinnolin-2-yl]methanone?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyridin-2-yl)-[1-methyl-5-(trifluoromethyl)-3,4-dihydrocinnolin-2-yl]methanone (CID 68797612) is (6-bromopyrazolo[1,5-a]pyridin-2-yl)-[1-methyl-5-(trifluoromethyl)-3,4-dihydrocinnolin-2-yl]methanone.
What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyridin-2-yl)-[1-methyl-5-(trifluoromethyl)-3,4-dihydrocinnolin-2-yl]methanone?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyridin-2-yl)-[1-methyl-5-(trifluoromethyl)-3,4-dihydrocinnolin-2-yl]methanone is CN1c2cccc(C(F)(F)F)c2CCN1C(=O)c1cc2ccc(Br)cn2n1.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyridin-2-yl)-[1-methyl-5-(trifluoromethyl)-3,4-dihydrocinnolin-2-yl]methanone?
The InChIKey is KUUDGXYOZYVMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrF3N4O/c1-24-16-4-2-3-14(18(20,21)22)13(16)7-8-26(24)17(27)15-9-12-6-5-11(19)10-25(12)23-15/h2-6,9-10H,7-8H2,1H3.
What are the key properties of (6-bromopyrazolo[1,5-a]pyridin-2-yl)-[1-methyl-5-(trifluoromethyl)-3,4-dihydrocinnolin-2-yl]methanone?
(6-bromopyrazolo[1,5-a]pyridin-2-yl)-[1-methyl-5-(trifluoromethyl)-3,4-dihydrocinnolin-2-yl]methanone has a molecular weight of 439.24 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromopyrazolo[1,5-a]pyridin-2-yl)-[1-methyl-5-(trifluoromethyl)-3,4-dihydrocinnolin-2-yl]methanone is sourced from PubChem (CID 68797612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).