2-(2,4-dichlorophenyl)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide

C17H11Cl2N5O — CID 165391887

IUPAC2-(2,4-dichlorophenyl)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc(-c2ccnc3[nH]ncc23)[nH]c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H11Cl2N5O/c18-8-1-2-10(13(19)5-8)15-11(16(20)25)6-14(23-15)9-3-4-21-17-12(9)7-22-24-17/h1-7,23H,(H2,20,25)(H,21,22,24)
InChIKeyXVSOTLVBXBTWNF-UHFFFAOYSA-N
MW372.22 g/mol
LogP4.03
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide

2-(2,4-dichlorophenyl)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide (PubChem CID 165391887) has the molecular formula C17H11Cl2N5O and a molecular weight of 372.22 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide
PubChem CID165391887
Molecular FormulaC17H11Cl2N5O
Molecular Weight372.22 g/mol
Exact Mass371.03
IUPAC Name2-(2,4-dichlorophenyl)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc(-c2ccnc3[nH]ncc23)[nH]c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H11Cl2N5O/c18-8-1-2-10(13(19)5-8)15-11(16(20)25)6-14(23-15)9-3-4-21-17-12(9)7-22-24-17/h1-7,23H,(H2,20,25)(H,21,22,24)
InChIKeyXVSOTLVBXBTWNF-UHFFFAOYSA-N
XLogP4.03
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 118879529
2-(6-Chloro-1-Methyl-1h-Indazol-3-Yl)-N-(Propan-2-Yl)-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide
CID 71279939
(4-Chlorophenyl)-[5-(1-Piperidin-4-Ylpyrazol-4-Yl)-1~{h}-Pyrrolo[2,3-B]pyridin-3-Yl]methanone
CID 122164606
6-[2-[4-[2-(3,4-Dichlorophenyl)ethyl]piperazin-1-Yl]phenyl]-~{n}-(3-Pyrrolidin-1-Ylpropyl)-2~{h}-Pyrazolo[3,4-B]pyridine-4-Carboxamide
CID 122705798
3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-(1-methylpyrazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 15950753
N-(3-(3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-4-chlorophenyl)-3-(trifluoromethyl)benzamide
CID 46879458
5-amino-N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063067
N-(3-(3-chlorophenyl)-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66851197
N-tert-butyl-2-(6-chloro-1-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71279444
4-(5-chloro-2-methylphenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrole-3-carboxamide
CID 73057136
2,6-dichloro-N-[(2S)-2-(3-fluorophenyl)-2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide
CID 121399230
5-amino-N-[5-(2,5-dichlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 45375833

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide (CID 165391887) is 2-(2,4-dichlorophenyl)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide is NC(=O)c1cc(-c2ccnc3[nH]ncc23)[nH]c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide?
The InChIKey is XVSOTLVBXBTWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N5O/c18-8-1-2-10(13(19)5-8)15-11(16(20)25)6-14(23-15)9-3-4-21-17-12(9)7-22-24-17/h1-7,23H,(H2,20,25)(H,21,22,24).
What are the key properties of 2-(2,4-dichlorophenyl)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide?
2-(2,4-dichlorophenyl)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide has a molecular weight of 372.22 g/mol, XLogP of 4.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 165391887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).