1-cyclopentyl-N-[(3,5-dichloro-4-pyridinyl)methyl]-3-ethylindazole-6-carboxamide

C21H22Cl2N4O — CID 140998605

IUPAC1-cyclopentyl-N-[(3,5-dichloro-4-pyridinyl)methyl]-3-ethylindazole-6-carboxamide
SMILESCCc1nn(C2CCCC2)c2cc(C(=O)NCc3c(Cl)cncc3Cl)ccc12
InChIInChI=1S/C21H22Cl2N4O/c1-2-19-15-8-7-13(9-20(15)27(26-19)14-5-3-4-6-14)21(28)25-10-16-17(22)11-24-12-18(16)23/h7-9,11-12,14H,2-6,10H2,1H3,(H,25,28)
InChIKeySINFIUGMEXTMOK-UHFFFAOYSA-N
MW417.34 g/mol
LogP5.35
Rot. Bonds5

About 1-cyclopentyl-N-[(3,5-dichloro-4-pyridinyl)methyl]-3-ethylindazole-6-carboxamide

1-cyclopentyl-N-[(3,5-dichloro-4-pyridinyl)methyl]-3-ethylindazole-6-carboxamide (PubChem CID 140998605) has the molecular formula C21H22Cl2N4O and a molecular weight of 417.34 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(3,5-dichloro-4-pyridinyl)methyl]-3-ethylindazole-6-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(3,5-dichloro-4-pyridinyl)methyl]-3-ethylindazole-6-carboxamide
PubChem CID140998605
Molecular FormulaC21H22Cl2N4O
Molecular Weight417.34 g/mol
Exact Mass416.12
IUPAC Name1-cyclopentyl-N-[(3,5-dichloro-4-pyridinyl)methyl]-3-ethylindazole-6-carboxamide
SMILESCCc1nn(C2CCCC2)c2cc(C(=O)NCc3c(Cl)cncc3Cl)ccc12
InChIInChI=1S/C21H22Cl2N4O/c1-2-19-15-8-7-13(9-20(15)27(26-19)14-5-3-4-6-14)21(28)25-10-16-17(22)11-24-12-18(16)23/h7-9,11-12,14H,2-6,10H2,1H3,(H,25,28)
InChIKeySINFIUGMEXTMOK-UHFFFAOYSA-N
XLogP5.35
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.34
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-3-ethyl-N-(2-methylsulfanylethyl)indazole-6-carboxamide
CID 21360894
(1-cyclopentyl-3-ethylindazol-6-yl)methanediol
CID 57438282
1-cyclopentyl-6-[(Z)-1,2-dipyridin-4-ylethenyl]-3-ethylindazole
CID 15429395
1-cyclopentyl-6-[(E)-1,2-dipyridin-4-ylethenyl]-3-ethylindazole
CID 70047905
4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]-N-methylbenzamide
CID 143218430
1-(cyclopropylmethyl)-3-ethyl-N-(methoxymethyl)indazole-6-carboxamide
CID 68710206
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-6-carboxamide
CID 127029640
4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]-N-methylsulfonylbenzamide
CID 11627071
1-cyclopentyl-3-ethyl-6-piperazin-1-ylindazole
CID 23627510
2-(1-cyclohexyl-3-ethylindazol-6-yl)acetonitrile
CID 22733812
[1-benzyl-4-(1-cyclopentyl-3-ethylindazol-6-yl)-3-methylpyrrolidin-3-yl]methanol
CID 18430749
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90490167

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(3,5-dichloro-4-pyridinyl)methyl]-3-ethylindazole-6-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[(3,5-dichloro-4-pyridinyl)methyl]-3-ethylindazole-6-carboxamide (CID 140998605) is 1-cyclopentyl-N-[(3,5-dichloro-4-pyridinyl)methyl]-3-ethylindazole-6-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[(3,5-dichloro-4-pyridinyl)methyl]-3-ethylindazole-6-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[(3,5-dichloro-4-pyridinyl)methyl]-3-ethylindazole-6-carboxamide is CCc1nn(C2CCCC2)c2cc(C(=O)NCc3c(Cl)cncc3Cl)ccc12.
What is the InChIKey of 1-cyclopentyl-N-[(3,5-dichloro-4-pyridinyl)methyl]-3-ethylindazole-6-carboxamide?
The InChIKey is SINFIUGMEXTMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N4O/c1-2-19-15-8-7-13(9-20(15)27(26-19)14-5-3-4-6-14)21(28)25-10-16-17(22)11-24-12-18(16)23/h7-9,11-12,14H,2-6,10H2,1H3,(H,25,28).
What are the key properties of 1-cyclopentyl-N-[(3,5-dichloro-4-pyridinyl)methyl]-3-ethylindazole-6-carboxamide?
1-cyclopentyl-N-[(3,5-dichloro-4-pyridinyl)methyl]-3-ethylindazole-6-carboxamide has a molecular weight of 417.34 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(3,5-dichloro-4-pyridinyl)methyl]-3-ethylindazole-6-carboxamide is sourced from PubChem (CID 140998605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).