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

C18H13Cl2N5O — CID 146637909

IUPACN-[(3,4-dichlorophenyl)methyl]-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-carboxamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)c1c[nH]c(-c2[nH]nc3ncccc23)c1
InChIInChI=1S/C18H13Cl2N5O/c19-13-4-3-10(6-14(13)20)8-23-18(26)11-7-15(22-9-11)16-12-2-1-5-21-17(12)25-24-16/h1-7,9,22H,8H2,(H,23,26)(H,21,24,25)
InChIKeyRFZJQRJCCVBGHC-UHFFFAOYSA-N
MW386.24 g/mol
LogP4.19
Rot. Bonds4

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

N-[(3,4-dichlorophenyl)methyl]-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-carboxamide (PubChem CID 146637909) has the molecular formula C18H13Cl2N5O and a molecular weight of 386.24 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-carboxamide
PubChem CID146637909
Molecular FormulaC18H13Cl2N5O
Molecular Weight386.24 g/mol
Exact Mass385.05
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-carboxamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)c1c[nH]c(-c2[nH]nc3ncccc23)c1
InChIInChI=1S/C18H13Cl2N5O/c19-13-4-3-10(6-14(13)20)8-23-18(26)11-7-15(22-9-11)16-12-2-1-5-21-17(12)25-24-16/h1-7,9,22H,8H2,(H,23,26)(H,21,24,25)
InChIKeyRFZJQRJCCVBGHC-UHFFFAOYSA-N
XLogP4.19
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.24
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-carboxamide
CID 146637583
5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-3-carboxamide
CID 146638261
N-[(4-chlorophenyl)methyl]-4,5-dimethyl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-carboxamide
CID 135843028
3-[3-oxo-3-[5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrol-3-yl]propyl]benzonitrile
CID 158180334
2-chloro-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide
CID 110472978
4-(3-chloro-2-pyridinyl)-N-[(3,4-dichlorophenyl)methyl]-3-fluorobenzamide
CID 59672600
2-(4-hydroxyphenyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
CID 110472847
N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 138384485
N-[(3,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 118716752
2,6-dichloro-4-[(3,4-dichlorophenyl)methylcarbamoyl]benzoic acid
CID 157035965
2-(3,4-dichlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 63045615
1-(3-chlorophenyl)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)urea
CID 110874440

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-carboxamide (CID 146637909) is N-[(3,4-dichlorophenyl)methyl]-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-carboxamide is O=C(NCc1ccc(Cl)c(Cl)c1)c1c[nH]c(-c2[nH]nc3ncccc23)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-carboxamide?
The InChIKey is RFZJQRJCCVBGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N5O/c19-13-4-3-10(6-14(13)20)8-23-18(26)11-7-15(22-9-11)16-12-2-1-5-21-17(12)25-24-16/h1-7,9,22H,8H2,(H,23,26)(H,21,24,25).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-carboxamide has a molecular weight of 386.24 g/mol, XLogP of 4.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 146637909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).