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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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).