N-[1-(3-chlorophenyl)propyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide

C22H19ClN4O — CID 127045932

IUPACN-[1-(3-chlorophenyl)propyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
SMILESCCC(NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1)c1cccc(Cl)c1
InChIInChI=1S/C22H19ClN4O/c1-2-19(15-4-3-5-17(23)12-15)25-22(28)16-6-7-20-18(13-16)21(27-26-20)14-8-10-24-11-9-14/h3-13,19H,2H2,1H3,(H,25,28)(H,26,27)
InChIKeyGHSFSJOGDCXHAZ-UHFFFAOYSA-N
MW390.87 g/mol
LogP5.16
Rot. Bonds5

About N-[1-(3-chlorophenyl)propyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide

N-[1-(3-chlorophenyl)propyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide (PubChem CID 127045932) has the molecular formula C22H19ClN4O and a molecular weight of 390.87 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
PubChem CID127045932
Molecular FormulaC22H19ClN4O
Molecular Weight390.87 g/mol
Exact Mass390.12
IUPAC NameN-[1-(3-chlorophenyl)propyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
SMILESCCC(NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1)c1cccc(Cl)c1
InChIInChI=1S/C22H19ClN4O/c1-2-19(15-4-3-5-17(23)12-15)25-22(28)16-6-7-20-18(13-16)21(27-26-20)14-8-10-24-11-9-14/h3-13,19H,2H2,1H3,(H,25,28)(H,26,27)
InChIKeyGHSFSJOGDCXHAZ-UHFFFAOYSA-N
XLogP5.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide (CID 127045932) is N-[1-(3-chlorophenyl)propyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide is CCC(NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The InChIKey is GHSFSJOGDCXHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O/c1-2-19(15-4-3-5-17(23)12-15)25-22(28)16-6-7-20-18(13-16)21(27-26-20)14-8-10-24-11-9-14/h3-13,19H,2H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-[1-(3-chlorophenyl)propyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
N-[1-(3-chlorophenyl)propyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide has a molecular weight of 390.87 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide is sourced from PubChem (CID 127045932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).