1-[3-[4-chloro-2-(2,4-dichlorophenyl)phenyl]-1H-pyrazolo[5,4-c]pyridin-7-yl]-4-(ethylamino)piperidine-4-carboxamide

C26H25Cl3N6O — CID 91593084

IUPAC1-[3-[4-chloro-2-(2,4-dichlorophenyl)phenyl]-1H-pyrazolo[5,4-c]pyridin-7-yl]-4-(ethylamino)piperidine-4-carboxamide
SMILESCCNC1(C(N)=O)CCN(c2nccc3c(-c4ccc(Cl)cc4-c4ccc(Cl)cc4Cl)n[nH]c23)CC1
InChIInChI=1S/C26H25Cl3N6O/c1-2-32-26(25(30)36)8-11-35(12-9-26)24-23-19(7-10-31-24)22(33-34-23)18-6-4-15(27)13-20(18)17-5-3-16(28)14-21(17)29/h3-7,10,13-14,32H,2,8-9,11-12H2,1H3,(H2,30,36)(H,33,34)
InChIKeyHCPBRTZMUJOQJZ-UHFFFAOYSA-N
MW543.89 g/mol
LogP5.69
Rot. Bonds6

About 1-[3-[4-chloro-2-(2,4-dichlorophenyl)phenyl]-1H-pyrazolo[5,4-c]pyridin-7-yl]-4-(ethylamino)piperidine-4-carboxamide

1-[3-[4-chloro-2-(2,4-dichlorophenyl)phenyl]-1H-pyrazolo[5,4-c]pyridin-7-yl]-4-(ethylamino)piperidine-4-carboxamide (PubChem CID 91593084) has the molecular formula C26H25Cl3N6O and a molecular weight of 543.89 g/mol. Its IUPAC name is 1-[3-[4-chloro-2-(2,4-dichlorophenyl)phenyl]-1H-pyrazolo[5,4-c]pyridin-7-yl]-4-(ethylamino)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[4-chloro-2-(2,4-dichlorophenyl)phenyl]-1H-pyrazolo[5,4-c]pyridin-7-yl]-4-(ethylamino)piperidine-4-carboxamide
PubChem CID91593084
Molecular FormulaC26H25Cl3N6O
Molecular Weight543.89 g/mol
Exact Mass542.12
IUPAC Name1-[3-[4-chloro-2-(2,4-dichlorophenyl)phenyl]-1H-pyrazolo[5,4-c]pyridin-7-yl]-4-(ethylamino)piperidine-4-carboxamide
SMILESCCNC1(C(N)=O)CCN(c2nccc3c(-c4ccc(Cl)cc4-c4ccc(Cl)cc4Cl)n[nH]c23)CC1
InChIInChI=1S/C26H25Cl3N6O/c1-2-32-26(25(30)36)8-11-35(12-9-26)24-23-19(7-10-31-24)22(33-34-23)18-6-4-15(27)13-20(18)17-5-3-16(28)14-21(17)29/h3-7,10,13-14,32H,2,8-9,11-12H2,1H3,(H2,30,36)(H,33,34)
InChIKeyHCPBRTZMUJOQJZ-UHFFFAOYSA-N
XLogP5.69
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.89
LogP ≤ 55.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(4-chlorophenyl)-6-(2-chloro-4-pyridinyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide
CID 44576685
1-[7-(2-chlorophenyl)-8-(2,4-dichlorophenyl)-2-methylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-3-(ethylamino)azetidine-3-carboxamide
CID 69211393
1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[3,4-c]pyridin-7-yl]-3-(ethylamino)azetidine-3-carboxamide
CID 69435363
methyl 2-[[2-[6-[4-carbamoyl-4-(ethylamino)piperidin-1-yl]-8-(4-chloro-2-fluorophenyl)-9-(4-chlorophenyl)purin-2-yl]acetyl]amino]acetate
CID 46175040
1-[9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)purin-6-yl]-4-(propan-2-ylamino)piperidine-4-carboxamide
CID 58721773
1-[7,8-bis(4-chlorophenyl)-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-(ethylamino)azetidine-3-carboxamide
CID 58772845
1-[1-[4-(2,4-dichlorophenyl)pyrimidin-2-yl]-4-phenylpiperidin-4-yl]ethanone
CID 171989085
1-[5-(3-chloro-4-pyridinyl)-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-3-(ethylamino)pyrrolidine-3-carboxamide
CID 143312955
N-butan-2-yl-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19510030
1-[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)pyrazolo[3,4-c]pyridin-7-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 23725508
N-[(2,4-dichlorophenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 9403592
N-[6-(2,4-dichlorophenyl)-3-pyridinyl]-1-methylsulfanylcyclopropane-1-carboxamide
CID 146090002

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-chloro-2-(2,4-dichlorophenyl)phenyl]-1H-pyrazolo[5,4-c]pyridin-7-yl]-4-(ethylamino)piperidine-4-carboxamide?
The IUPAC name of 1-[3-[4-chloro-2-(2,4-dichlorophenyl)phenyl]-1H-pyrazolo[5,4-c]pyridin-7-yl]-4-(ethylamino)piperidine-4-carboxamide (CID 91593084) is 1-[3-[4-chloro-2-(2,4-dichlorophenyl)phenyl]-1H-pyrazolo[5,4-c]pyridin-7-yl]-4-(ethylamino)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[4-chloro-2-(2,4-dichlorophenyl)phenyl]-1H-pyrazolo[5,4-c]pyridin-7-yl]-4-(ethylamino)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[4-chloro-2-(2,4-dichlorophenyl)phenyl]-1H-pyrazolo[5,4-c]pyridin-7-yl]-4-(ethylamino)piperidine-4-carboxamide is CCNC1(C(N)=O)CCN(c2nccc3c(-c4ccc(Cl)cc4-c4ccc(Cl)cc4Cl)n[nH]c23)CC1.
What is the InChIKey of 1-[3-[4-chloro-2-(2,4-dichlorophenyl)phenyl]-1H-pyrazolo[5,4-c]pyridin-7-yl]-4-(ethylamino)piperidine-4-carboxamide?
The InChIKey is HCPBRTZMUJOQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl3N6O/c1-2-32-26(25(30)36)8-11-35(12-9-26)24-23-19(7-10-31-24)22(33-34-23)18-6-4-15(27)13-20(18)17-5-3-16(28)14-21(17)29/h3-7,10,13-14,32H,2,8-9,11-12H2,1H3,(H2,30,36)(H,33,34).
What are the key properties of 1-[3-[4-chloro-2-(2,4-dichlorophenyl)phenyl]-1H-pyrazolo[5,4-c]pyridin-7-yl]-4-(ethylamino)piperidine-4-carboxamide?
1-[3-[4-chloro-2-(2,4-dichlorophenyl)phenyl]-1H-pyrazolo[5,4-c]pyridin-7-yl]-4-(ethylamino)piperidine-4-carboxamide has a molecular weight of 543.89 g/mol, XLogP of 5.69, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-chloro-2-(2,4-dichlorophenyl)phenyl]-1H-pyrazolo[5,4-c]pyridin-7-yl]-4-(ethylamino)piperidine-4-carboxamide is sourced from PubChem (CID 91593084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).