(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(5-nitro-3,4-dihydro-1H-isoquinolin-2-yl)methanone

C17H13ClN4O3 — CID 68799749

IUPAC(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(5-nitro-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(c1cc2ccc(Cl)cn2n1)N1CCc2c(cccc2[N+](=O)[O-])C1
InChIInChI=1S/C17H13ClN4O3/c18-12-4-5-13-8-15(19-21(13)10-12)17(23)20-7-6-14-11(9-20)2-1-3-16(14)22(24)25/h1-5,8,10H,6-7,9H2
InChIKeyUFFJYCFQLANZCW-UHFFFAOYSA-N
MW356.77 g/mol
LogP3.09
Rot. Bonds2

About (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(5-nitro-3,4-dihydro-1H-isoquinolin-2-yl)methanone

(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(5-nitro-3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 68799749) has the molecular formula C17H13ClN4O3 and a molecular weight of 356.77 g/mol. Its IUPAC name is (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(5-nitro-3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(5-nitro-3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID68799749
Molecular FormulaC17H13ClN4O3
Molecular Weight356.77 g/mol
Exact Mass356.07
IUPAC Name(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(5-nitro-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(c1cc2ccc(Cl)cn2n1)N1CCc2c(cccc2[N+](=O)[O-])C1
InChIInChI=1S/C17H13ClN4O3/c18-12-4-5-13-8-15(19-21(13)10-12)17(23)20-7-6-14-11(9-20)2-1-3-16(14)22(24)25/h1-5,8,10H,6-7,9H2
InChIKeyUFFJYCFQLANZCW-UHFFFAOYSA-N
XLogP3.09
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.77
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(5-nitro-3,4-dihydro-1H-isoquinolin-2-yl)methanone with MolForge

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Related Compounds

(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone
CID 68801681
(5-nitro-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 75390569
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(6-hydroxy-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 68798497
(3-bromo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone
CID 68799764
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(5-fluoro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone
CID 68802236
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2-nitrophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 24810847
N-[2-(6-chloropyrazolo[1,5-a]pyridine-2-carbonyl)-1-methyl-3,4-dihydrocinnolin-8-yl]acetamide
CID 68801997
(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 68801630
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(6,7-difluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 68800281
(6-bromo-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone
CID 68800895
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1,6-dimethyl-3,4-dihydrocinnolin-2-yl)methanone
CID 68798683
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-6-methylsulfonyl-3,4-dihydrocinnolin-2-yl)methanone
CID 68799935

Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(5-nitro-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(5-nitro-3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 68799749) is (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(5-nitro-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(5-nitro-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(5-nitro-3,4-dihydro-1H-isoquinolin-2-yl)methanone is O=C(c1cc2ccc(Cl)cn2n1)N1CCc2c(cccc2[N+](=O)[O-])C1.
What is the InChIKey of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(5-nitro-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is UFFJYCFQLANZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O3/c18-12-4-5-13-8-15(19-21(13)10-12)17(23)20-7-6-14-11(9-20)2-1-3-16(14)22(24)25/h1-5,8,10H,6-7,9H2.
What are the key properties of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(5-nitro-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(5-nitro-3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 356.77 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(5-nitro-3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 68799749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).