3-(2-methyl-4-pyridinyl)-N-[1-(2,3,5-trichloro-4-pyridinyl)ethyl]-1H-indazole-5-carboxamide

C21H16Cl3N5O — CID 127047724

IUPAC3-(2-methyl-4-pyridinyl)-N-[1-(2,3,5-trichloro-4-pyridinyl)ethyl]-1H-indazole-5-carboxamide
SMILESCc1cc(-c2n[nH]c3ccc(C(=O)NC(C)c4c(Cl)cnc(Cl)c4Cl)cc23)ccn1
InChIInChI=1S/C21H16Cl3N5O/c1-10-7-12(5-6-25-10)19-14-8-13(3-4-16(14)28-29-19)21(30)27-11(2)17-15(22)9-26-20(24)18(17)23/h3-9,11H,1-2H3,(H,27,30)(H,28,29)
InChIKeyQGUTWNCPUVAIQV-UHFFFAOYSA-N
MW460.75 g/mol
LogP5.78
Rot. Bonds4

About 3-(2-methyl-4-pyridinyl)-N-[1-(2,3,5-trichloro-4-pyridinyl)ethyl]-1H-indazole-5-carboxamide

3-(2-methyl-4-pyridinyl)-N-[1-(2,3,5-trichloro-4-pyridinyl)ethyl]-1H-indazole-5-carboxamide (PubChem CID 127047724) has the molecular formula C21H16Cl3N5O and a molecular weight of 460.75 g/mol. Its IUPAC name is 3-(2-methyl-4-pyridinyl)-N-[1-(2,3,5-trichloro-4-pyridinyl)ethyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methyl-4-pyridinyl)-N-[1-(2,3,5-trichloro-4-pyridinyl)ethyl]-1H-indazole-5-carboxamide
PubChem CID127047724
Molecular FormulaC21H16Cl3N5O
Molecular Weight460.75 g/mol
Exact Mass459.04
IUPAC Name3-(2-methyl-4-pyridinyl)-N-[1-(2,3,5-trichloro-4-pyridinyl)ethyl]-1H-indazole-5-carboxamide
SMILESCc1cc(-c2n[nH]c3ccc(C(=O)NC(C)c4c(Cl)cnc(Cl)c4Cl)cc23)ccn1
InChIInChI=1S/C21H16Cl3N5O/c1-10-7-12(5-6-25-10)19-14-8-13(3-4-16(14)28-29-19)21(30)27-11(2)17-15(22)9-26-20(24)18(17)23/h3-9,11H,1-2H3,(H,27,30)(H,28,29)
InChIKeyQGUTWNCPUVAIQV-UHFFFAOYSA-N
XLogP5.78
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.75
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-(2-methyl-4-pyridinyl)-N-[1-(2,3,5-trichloro-4-pyridinyl)ethyl]-1H-indazole-5-carboxamide with MolForge

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Related Compounds

N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458694
N-(5,6-dichloro-3-pyridinyl)-1H-indazole-5-carboxamide
CID 77844666
N-(5-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381061
5-chloro-N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyridine-3-carboxamide
CID 56659489
4-chloro-N'-[1-(1H-indol-5-yl)ethylidene]benzohydrazide
CID 9615860
3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-pyridin-2-ylbutanoyl]piperidin-4-yl]-1H-quinolin-2-one
CID 11249157
2-(5-(1-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-5-carbonyl)-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide
CID 25114098
[4-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 44389674
1H-Indole-5-carboxylic acid [1''-(3,4-dichloro-benzyl)-[1,4'']bipiperidinyl-3-ylmethyl]-amide
CID 44399385
(1-(2-chlorophenyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)(1-methyl-1H-indol-5-yl)methanone
CID 44426955
N-isopropyl-3-(5-(4-(4-methylpiperazin-1-yl)-3-(pyridin-4-yl)phenyl)-1H-pyrazol-3-yl)benzamide
CID 53324193
2-tert-butyl-1'-(3-chloro-1H-indole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 56967949

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-4-pyridinyl)-N-[1-(2,3,5-trichloro-4-pyridinyl)ethyl]-1H-indazole-5-carboxamide?
The IUPAC name of 3-(2-methyl-4-pyridinyl)-N-[1-(2,3,5-trichloro-4-pyridinyl)ethyl]-1H-indazole-5-carboxamide (CID 127047724) is 3-(2-methyl-4-pyridinyl)-N-[1-(2,3,5-trichloro-4-pyridinyl)ethyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(2-methyl-4-pyridinyl)-N-[1-(2,3,5-trichloro-4-pyridinyl)ethyl]-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(2-methyl-4-pyridinyl)-N-[1-(2,3,5-trichloro-4-pyridinyl)ethyl]-1H-indazole-5-carboxamide is Cc1cc(-c2n[nH]c3ccc(C(=O)NC(C)c4c(Cl)cnc(Cl)c4Cl)cc23)ccn1.
What is the InChIKey of 3-(2-methyl-4-pyridinyl)-N-[1-(2,3,5-trichloro-4-pyridinyl)ethyl]-1H-indazole-5-carboxamide?
The InChIKey is QGUTWNCPUVAIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl3N5O/c1-10-7-12(5-6-25-10)19-14-8-13(3-4-16(14)28-29-19)21(30)27-11(2)17-15(22)9-26-20(24)18(17)23/h3-9,11H,1-2H3,(H,27,30)(H,28,29).
What are the key properties of 3-(2-methyl-4-pyridinyl)-N-[1-(2,3,5-trichloro-4-pyridinyl)ethyl]-1H-indazole-5-carboxamide?
3-(2-methyl-4-pyridinyl)-N-[1-(2,3,5-trichloro-4-pyridinyl)ethyl]-1H-indazole-5-carboxamide has a molecular weight of 460.75 g/mol, XLogP of 5.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4-pyridinyl)-N-[1-(2,3,5-trichloro-4-pyridinyl)ethyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 127047724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).