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

C17H14ClFN4O — CID 68802236

IUPAC(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(5-fluoro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone
SMILESCN1c2cccc(F)c2CCN1C(=O)c1cc2ccc(Cl)cn2n1
InChIInChI=1S/C17H14ClFN4O/c1-21-16-4-2-3-14(19)13(16)7-8-23(21)17(24)15-9-12-6-5-11(18)10-22(12)20-15/h2-6,9-10H,7-8H2,1H3
InChIKeyYOQSKEARWIRUGG-UHFFFAOYSA-N
MW344.78 g/mol
LogP3.18
Rot. Bonds1

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

(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(5-fluoro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone (PubChem CID 68802236) has the molecular formula C17H14ClFN4O and a molecular weight of 344.78 g/mol. Its IUPAC name is (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(5-fluoro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone.

Molecular Properties

Compound Name(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(5-fluoro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone
PubChem CID68802236
Molecular FormulaC17H14ClFN4O
Molecular Weight344.78 g/mol
Exact Mass344.08
IUPAC Name(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(5-fluoro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone
SMILESCN1c2cccc(F)c2CCN1C(=O)c1cc2ccc(Cl)cn2n1
InChIInChI=1S/C17H14ClFN4O/c1-21-16-4-2-3-14(19)13(16)7-8-23(21)17(24)15-9-12-6-5-11(18)10-22(12)20-15/h2-6,9-10H,7-8H2,1H3
InChIKeyYOQSKEARWIRUGG-UHFFFAOYSA-N
XLogP3.18
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.78
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(5-fluoro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone?
The IUPAC name of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(5-fluoro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone (CID 68802236) is (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(5-fluoro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone.
What is the SMILES notation for (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(5-fluoro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone?
The canonical SMILES for (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(5-fluoro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone is CN1c2cccc(F)c2CCN1C(=O)c1cc2ccc(Cl)cn2n1.
What is the InChIKey of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(5-fluoro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone?
The InChIKey is YOQSKEARWIRUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4O/c1-21-16-4-2-3-14(19)13(16)7-8-23(21)17(24)15-9-12-6-5-11(18)10-22(12)20-15/h2-6,9-10H,7-8H2,1H3.
What are the key properties of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(5-fluoro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone?
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(5-fluoro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone has a molecular weight of 344.78 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(5-fluoro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone is sourced from PubChem (CID 68802236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).