4-(3-chloro-4-fluorophenyl)-N-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

C19H16ClFN4O — CID 11337695

IUPAC4-(3-chloro-4-fluorophenyl)-N-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CC=C(c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C19H16ClFN4O/c20-15-11-13(5-6-16(15)21)12-7-9-25(10-8-12)19(26)22-18-14-3-1-2-4-17(14)23-24-18/h1-7,11H,8-10H2,(H2,22,23,24,26)
InChIKeyBJAGLJBPTARJIR-UHFFFAOYSA-N
MW370.82 g/mol
LogP4.68
Rot. Bonds2

About 4-(3-chloro-4-fluorophenyl)-N-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

4-(3-chloro-4-fluorophenyl)-N-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 11337695) has the molecular formula C19H16ClFN4O and a molecular weight of 370.82 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-N-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-N-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID11337695
Molecular FormulaC19H16ClFN4O
Molecular Weight370.82 g/mol
Exact Mass370.10
IUPAC Name4-(3-chloro-4-fluorophenyl)-N-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CC=C(c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C19H16ClFN4O/c20-15-11-13(5-6-16(15)21)12-7-9-25(10-8-12)19(26)22-18-14-3-1-2-4-17(14)23-24-18/h1-7,11H,8-10H2,(H2,22,23,24,26)
InChIKeyBJAGLJBPTARJIR-UHFFFAOYSA-N
XLogP4.68
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-phenyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442766
5-(3-Amino-1H-indazol-6-yl)-1-[(3-chlorophenyl)methyl]pyridin-2-one
CID 129052025
1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-chlorophenyl)urea
CID 122195163
1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 122195173
1-benzyl-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea
CID 10068140
N-(6-chloro-5-phenyl-1H-indazol-3-yl)-N'-phenylurea
CID 10248119
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(3-chlorophenyl)urea
CID 11337894
1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-propan-2-ylurea
CID 21079218
(6-chloro-5-phenyl-1H-indazol-3-yl)urea
CID 21079223
N-(3-chlorophenyl)-1H-indazol-3-amine
CID 25096270
N-(3-chlorophenyl)-5-fluoro-1H-indazol-3-amine
CID 25096271
N-(3-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442731

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-N-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-N-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 11337695) is 4-(3-chloro-4-fluorophenyl)-N-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-N-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-N-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is O=C(Nc1n[nH]c2ccccc12)N1CC=C(c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-N-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is BJAGLJBPTARJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O/c20-15-11-13(5-6-16(15)21)12-7-9-25(10-8-12)19(26)22-18-14-3-1-2-4-17(14)23-24-18/h1-7,11H,8-10H2,(H2,22,23,24,26).
What are the key properties of 4-(3-chloro-4-fluorophenyl)-N-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
4-(3-chloro-4-fluorophenyl)-N-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 370.82 g/mol, XLogP of 4.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-N-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 11337695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).