2-(2-fluoro-4-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide

C25H26FN5O2 — CID 165391729

IUPAC2-(2-fluoro-4-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide
SMILESCc1ccc(-c2[nH]c(-c3ccnc4[nH]ccc34)cc2C(=O)NCCN2CCOCC2)c(F)c1
InChIInChI=1S/C25H26FN5O2/c1-16-2-3-19(21(26)14-16)23-20(25(32)29-8-9-31-10-12-33-13-11-31)15-22(30-23)17-4-6-27-24-18(17)5-7-28-24/h2-7,14-15,30H,8-13H2,1H3,(H,27,28)(H,29,32)
InChIKeyHJFNPNVGSOSRJU-UHFFFAOYSA-N
MW447.51 g/mol
LogP3.73
Rot. Bonds6

About 2-(2-fluoro-4-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide

2-(2-fluoro-4-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide (PubChem CID 165391729) has the molecular formula C25H26FN5O2 and a molecular weight of 447.51 g/mol. Its IUPAC name is 2-(2-fluoro-4-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(2-fluoro-4-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide
PubChem CID165391729
Molecular FormulaC25H26FN5O2
Molecular Weight447.51 g/mol
Exact Mass447.21
IUPAC Name2-(2-fluoro-4-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide
SMILESCc1ccc(-c2[nH]c(-c3ccnc4[nH]ccc34)cc2C(=O)NCCN2CCOCC2)c(F)c1
InChIInChI=1S/C25H26FN5O2/c1-16-2-3-19(21(26)14-16)23-20(25(32)29-8-9-31-10-12-33-13-11-31)15-22(30-23)17-4-6-27-24-18(17)5-7-28-24/h2-7,14-15,30H,8-13H2,1H3,(H,27,28)(H,29,32)
InChIKeyHJFNPNVGSOSRJU-UHFFFAOYSA-N
XLogP3.73
TPSA86.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(2-fluoro-4-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide with MolForge

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Related Compounds

N-(2-morpholin-4-ylethyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 158455560
2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide
CID 110849673
2-methoxy-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 84580344
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
6-methyl-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 142825868
2-(2,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 49014551
2-(3-ethoxy-2-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide
CID 165391983
5-(2-fluoro-3-pyridinyl)-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide
CID 175282629
6-chloro-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide
CID 113206353
5-amino-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 43510748
2-N-(2,5-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109083747
6-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide
CID 100794566

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-(2-fluoro-4-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide (CID 165391729) is 2-(2-fluoro-4-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-(2-fluoro-4-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-(2-fluoro-4-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide is Cc1ccc(-c2[nH]c(-c3ccnc4[nH]ccc34)cc2C(=O)NCCN2CCOCC2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide?
The InChIKey is HJFNPNVGSOSRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O2/c1-16-2-3-19(21(26)14-16)23-20(25(32)29-8-9-31-10-12-33-13-11-31)15-22(30-23)17-4-6-27-24-18(17)5-7-28-24/h2-7,14-15,30H,8-13H2,1H3,(H,27,28)(H,29,32).
What are the key properties of 2-(2-fluoro-4-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide?
2-(2-fluoro-4-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide has a molecular weight of 447.51 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 165391729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).