4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-ethyl-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide

C20H18ClN5O — CID 58897089

IUPAC4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-ethyl-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1cc(-c2c(Cl)cnc3[nH]ccc23)c[nH]1
InChIInChI=1S/C20H18ClN5O/c1-2-26(12-13-3-6-22-7-4-13)20(27)17-9-14(10-24-17)18-15-5-8-23-19(15)25-11-16(18)21/h3-11,24H,2,12H2,1H3,(H,23,25)
InChIKeyNSMVIGMCEBTZNX-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.27
Rot. Bonds5

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

4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-ethyl-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 58897089) has the molecular formula C20H18ClN5O and a molecular weight of 379.85 g/mol. Its IUPAC name is 4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-ethyl-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-ethyl-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID58897089
Molecular FormulaC20H18ClN5O
Molecular Weight379.85 g/mol
Exact Mass379.12
IUPAC Name4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-ethyl-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1cc(-c2c(Cl)cnc3[nH]ccc23)c[nH]1
InChIInChI=1S/C20H18ClN5O/c1-2-26(12-13-3-6-22-7-4-13)20(27)17-9-14(10-24-17)18-15-5-8-23-19(15)25-11-16(18)21/h3-11,24H,2,12H2,1H3,(H,23,25)
InChIKeyNSMVIGMCEBTZNX-UHFFFAOYSA-N
XLogP4.27
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyanomethyl)-N-[(4-fluorophenyl)methyl]-4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide
CID 58896879
5-chloro-N-ethyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 114922658
4-(5-chloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-ethyl-N-(pyridin-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 71190115
4-chloro-N-ethyl-6-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 81227477
[4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrol-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 58897044
5-chloro-N-ethyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 62180547
N-ethyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 62180545
4-amino-N-ethyl-N-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 57218772
N-ethyl-4-hydrazinyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 62247237
N-ethyl-4-(2-methyltetrazol-5-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 77089637
N-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6470450
N-(2-cyanoethyl)-N-propyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide
CID 24964655

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-ethyl-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-ethyl-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide (CID 58897089) is 4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-ethyl-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-ethyl-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-ethyl-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide is CCN(Cc1ccncc1)C(=O)c1cc(-c2c(Cl)cnc3[nH]ccc23)c[nH]1.
What is the InChIKey of 4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-ethyl-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is NSMVIGMCEBTZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O/c1-2-26(12-13-3-6-22-7-4-13)20(27)17-9-14(10-24-17)18-15-5-8-23-19(15)25-11-16(18)21/h3-11,24H,2,12H2,1H3,(H,23,25).
What are the key properties of 4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-ethyl-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide?
4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-ethyl-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 379.85 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-ethyl-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 58897089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).