1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[3,4-c]pyridin-7-yl]-3-(ethylamino)azetidine-3-carboxamide

C24H22Cl2N6O — CID 69435363

IUPAC1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[3,4-c]pyridin-7-yl]-3-(ethylamino)azetidine-3-carboxamide
SMILESCCNC1(C(N)=O)CN(c2nccc3c(-c4ccc(Cl)cc4)n(-c4ccccc4Cl)nc23)C1
InChIInChI=1S/C24H22Cl2N6O/c1-2-29-24(23(27)33)13-31(14-24)22-20-17(11-12-28-22)21(15-7-9-16(25)10-8-15)32(30-20)19-6-4-3-5-18(19)26/h3-12,29H,2,13-14H2,1H3,(H2,27,33)
InChIKeyRELXVTMLKHURQX-UHFFFAOYSA-N
MW481.39 g/mol
LogP4.05
Rot. Bonds6

About 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[3,4-c]pyridin-7-yl]-3-(ethylamino)azetidine-3-carboxamide

1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[3,4-c]pyridin-7-yl]-3-(ethylamino)azetidine-3-carboxamide (PubChem CID 69435363) has the molecular formula C24H22Cl2N6O and a molecular weight of 481.39 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[3,4-c]pyridin-7-yl]-3-(ethylamino)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[3,4-c]pyridin-7-yl]-3-(ethylamino)azetidine-3-carboxamide
PubChem CID69435363
Molecular FormulaC24H22Cl2N6O
Molecular Weight481.39 g/mol
Exact Mass480.12
IUPAC Name1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[3,4-c]pyridin-7-yl]-3-(ethylamino)azetidine-3-carboxamide
SMILESCCNC1(C(N)=O)CN(c2nccc3c(-c4ccc(Cl)cc4)n(-c4ccccc4Cl)nc23)C1
InChIInChI=1S/C24H22Cl2N6O/c1-2-29-24(23(27)33)13-31(14-24)22-20-17(11-12-28-22)21(15-7-9-16(25)10-8-15)32(30-20)19-6-4-3-5-18(19)26/h3-12,29H,2,13-14H2,1H3,(H2,27,33)
InChIKeyRELXVTMLKHURQX-UHFFFAOYSA-N
XLogP4.05
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.39
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)pyrazolo[3,4-c]pyridin-7-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 23725508
ethyl 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methylpyrazole-3-carboxylate
CID 58760952
1-[2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methylpyrazol-3-yl]-2-hydroxyethyl]-4-(propan-2-ylamino)piperidine-4-carboxamide
CID 10346897
1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-(ethylamino)azetidine-3-carboxylic acid
CID 21083691
ethyl 4-bromo-1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazole-3-carboxylate
CID 58763925
1-[7-(2-chlorophenyl)-2-methyl-8-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-3-(ethylamino)azetidine-3-carboxamide
CID 69212692
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-ethenylpyrazole-3-carboxamide
CID 42637620
1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(ethoxymethyl)-4-methylpyrazole;ethane
CID 143816753
2-(2-chlorophenyl)-3-(4-chlorophenyl)-N,N-diethylpyrazolo[4,3-d]pyrimidin-7-amine
CID 69429760
2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 11375067
1-[7-(2-chlorophenyl)-8-(4-chlorophenyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-3-(ethylamino)azetidine-3-carboxylic acid
CID 69212529
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[3,4-c]pyridin-7-yl]-3-(ethylamino)azetidine-3-carboxamide?
The IUPAC name of 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[3,4-c]pyridin-7-yl]-3-(ethylamino)azetidine-3-carboxamide (CID 69435363) is 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[3,4-c]pyridin-7-yl]-3-(ethylamino)azetidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[3,4-c]pyridin-7-yl]-3-(ethylamino)azetidine-3-carboxamide?
The canonical SMILES for 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[3,4-c]pyridin-7-yl]-3-(ethylamino)azetidine-3-carboxamide is CCNC1(C(N)=O)CN(c2nccc3c(-c4ccc(Cl)cc4)n(-c4ccccc4Cl)nc23)C1.
What is the InChIKey of 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[3,4-c]pyridin-7-yl]-3-(ethylamino)azetidine-3-carboxamide?
The InChIKey is RELXVTMLKHURQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N6O/c1-2-29-24(23(27)33)13-31(14-24)22-20-17(11-12-28-22)21(15-7-9-16(25)10-8-15)32(30-20)19-6-4-3-5-18(19)26/h3-12,29H,2,13-14H2,1H3,(H2,27,33).
What are the key properties of 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[3,4-c]pyridin-7-yl]-3-(ethylamino)azetidine-3-carboxamide?
1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[3,4-c]pyridin-7-yl]-3-(ethylamino)azetidine-3-carboxamide has a molecular weight of 481.39 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[3,4-c]pyridin-7-yl]-3-(ethylamino)azetidine-3-carboxamide is sourced from PubChem (CID 69435363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).