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

C20H15ClN4O — CID 127045928

IUPACN-[(3-chlorophenyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C20H15ClN4O/c21-16-3-1-2-13(10-16)12-23-20(26)15-4-5-18-17(11-15)19(25-24-18)14-6-8-22-9-7-14/h1-11H,12H2,(H,23,26)(H,24,25)
InChIKeyXGNWLLMQVIIJHG-UHFFFAOYSA-N
MW362.82 g/mol
LogP4.21
Rot. Bonds4

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

N-[(3-chlorophenyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide (PubChem CID 127045928) has the molecular formula C20H15ClN4O and a molecular weight of 362.82 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
PubChem CID127045928
Molecular FormulaC20H15ClN4O
Molecular Weight362.82 g/mol
Exact Mass362.09
IUPAC NameN-[(3-chlorophenyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C20H15ClN4O/c21-16-3-1-2-13(10-16)12-23-20(26)15-4-5-18-17(11-15)19(25-24-18)14-6-8-22-9-7-14/h1-11H,12H2,(H,23,26)(H,24,25)
InChIKeyXGNWLLMQVIIJHG-UHFFFAOYSA-N
XLogP4.21
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-Benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 135449325
3-[5-(Piperidin-1-Ylmethyl)-1h-Indol-2-Yl]-6-(1h-Pyrazol-4-Yl)quinolin-2(1h)-One
CID 11690363
N-(3-chloro-4-fluorophenyl)-1H-indazole-5-carboxamide
CID 77844663
N-(3-chloro-4-fluorophenyl)-1-methylindazole-5-carboxamide
CID 77844718
N'-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-ylidene)isonicotinohydrazide
CID 135501782
N-(3,5-dichlorophenyl)-1H-indazole-5-carboxamide
CID 77844662
N-(5,6-dichloro-3-pyridinyl)-1H-indazole-5-carboxamide
CID 77844666
8-Chloro-2-phenyl-2,5-dihydro-pyrazolo[4,3-c]quinolin-3-one
CID 10379792
N-(4-chloro-3-fluorophenyl)-1H-indazole-5-carboxamide
CID 77844664
4-Chloro-N'-[(E)-1H-indol-3-ylmethylidene]benzohydrazide
CID 135569038
5H-1-benzazepin-5-ylidene acetamide, 10h
CID 44520878
4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 135453331

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide (CID 127045928) is N-[(3-chlorophenyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide is O=C(NCc1cccc(Cl)c1)c1ccc2[nH]nc(-c3ccncc3)c2c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The InChIKey is XGNWLLMQVIIJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O/c21-16-3-1-2-13(10-16)12-23-20(26)15-4-5-18-17(11-15)19(25-24-18)14-6-8-22-9-7-14/h1-11H,12H2,(H,23,26)(H,24,25).
What are the key properties of N-[(3-chlorophenyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
N-[(3-chlorophenyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide has a molecular weight of 362.82 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide is sourced from PubChem (CID 127045928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).