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

C19H16ClN5O — CID 146637583

IUPACN-[2-(4-chlorophenyl)ethyl]-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1c[nH]c(-c2[nH]nc3ncccc23)c1
InChIInChI=1S/C19H16ClN5O/c20-14-5-3-12(4-6-14)7-9-22-19(26)13-10-16(23-11-13)17-15-2-1-8-21-18(15)25-24-17/h1-6,8,10-11,23H,7,9H2,(H,22,26)(H,21,24,25)
InChIKeyIONNYQJEVQZICQ-UHFFFAOYSA-N
MW365.82 g/mol
LogP3.58
Rot. Bonds5

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

N-[2-(4-chlorophenyl)ethyl]-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-carboxamide (PubChem CID 146637583) has the molecular formula C19H16ClN5O and a molecular weight of 365.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-carboxamide
PubChem CID146637583
Molecular FormulaC19H16ClN5O
Molecular Weight365.82 g/mol
Exact Mass365.10
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1c[nH]c(-c2[nH]nc3ncccc23)c1
InChIInChI=1S/C19H16ClN5O/c20-14-5-3-12(4-6-14)7-9-22-19(26)13-10-16(23-11-13)17-15-2-1-8-21-18(15)25-24-17/h1-6,8,10-11,23H,7,9H2,(H,22,26)(H,21,24,25)
InChIKeyIONNYQJEVQZICQ-UHFFFAOYSA-N
XLogP3.58
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 26711708
N-[(4-chlorophenyl)methyl]-4,5-dimethyl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-carboxamide
CID 135843028
1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 1242332
2-N-[2-(4-chlorophenyl)ethyl]-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087317
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106001
2-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109079423
N-[2-(4-chlorophenyl)ethyl]-4-(isoquinolin-1-ylmethyl)benzamide
CID 174692750
2-N-[2-(4-chlorophenyl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide
CID 109088529
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
2-chloro-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide
CID 110472978
5-chloro-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
CID 110852311
N-[2-(4-chlorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47245043

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-carboxamide (CID 146637583) is N-[2-(4-chlorophenyl)ethyl]-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1c[nH]c(-c2[nH]nc3ncccc23)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-carboxamide?
The InChIKey is IONNYQJEVQZICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O/c20-14-5-3-12(4-6-14)7-9-22-19(26)13-10-16(23-11-13)17-15-2-1-8-21-18(15)25-24-17/h1-6,8,10-11,23H,7,9H2,(H,22,26)(H,21,24,25).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-carboxamide has a molecular weight of 365.82 g/mol, XLogP of 3.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 146637583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).