2-(4-fluorophenyl)-N-[4-[5-methyl-3-(5-methylthiophen-2-yl)-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide

C27H23FN4O2S — CID 162687197

IUPAC2-(4-fluorophenyl)-N-[4-[5-methyl-3-(5-methylthiophen-2-yl)-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide
SMILESCc1ccc(-c2c(-c3ccnc(NC(=O)C(C)c4ccc(F)cc4)c3)[nH]c3ccn(C)c(=O)c23)s1
InChIInChI=1S/C27H23FN4O2S/c1-15-4-9-21(35-15)24-23-20(11-13-32(3)27(23)34)30-25(24)18-10-12-29-22(14-18)31-26(33)16(2)17-5-7-19(28)8-6-17/h4-14,16,30H,1-3H3,(H,29,31,33)
InChIKeyJIUXQQJKSDSLKZ-UHFFFAOYSA-N
MW486.57 g/mol
LogP5.85
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[4-[5-methyl-3-(5-methylthiophen-2-yl)-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide

2-(4-fluorophenyl)-N-[4-[5-methyl-3-(5-methylthiophen-2-yl)-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide (PubChem CID 162687197) has the molecular formula C27H23FN4O2S and a molecular weight of 486.57 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-[5-methyl-3-(5-methylthiophen-2-yl)-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[4-[5-methyl-3-(5-methylthiophen-2-yl)-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide
PubChem CID162687197
Molecular FormulaC27H23FN4O2S
Molecular Weight486.57 g/mol
Exact Mass486.15
IUPAC Name2-(4-fluorophenyl)-N-[4-[5-methyl-3-(5-methylthiophen-2-yl)-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide
SMILESCc1ccc(-c2c(-c3ccnc(NC(=O)C(C)c4ccc(F)cc4)c3)[nH]c3ccn(C)c(=O)c23)s1
InChIInChI=1S/C27H23FN4O2S/c1-15-4-9-21(35-15)24-23-20(11-13-32(3)27(23)34)30-25(24)18-10-12-29-22(14-18)31-26(33)16(2)17-5-7-19(28)8-6-17/h4-14,16,30H,1-3H3,(H,29,31,33)
InChIKeyJIUXQQJKSDSLKZ-UHFFFAOYSA-N
XLogP5.85
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.57
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

US11685744, Example 56
CID 164709790
(4aR,7aR)-2-amino-6-(3-fluorobenzoyl)-3-methyl-7a-[4-(5-prop-1-ynyl-3-pyridinyl)thiophen-2-yl]-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
CID 71459034
N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-methyl-N-[(E)-3-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]prop-2-enyl]thiophene-2-carboxamide
CID 76328235
3-[(3-fluorophenyl)methyl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[2,3-d]pyrimidin-4-one
CID 156018235
2-(2,2-dimethylpropanoylamino)-N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2174274
4-methyl-2-oxo-N-pyridin-2-yl-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide
CID 24818019
2-(butanoylamino)-N-(pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3153379
5-(N-[3-thiophenecarbonyl]amino)-3-(1-methylpiperidin-4-yl)pyrrolo[3,2-b]pyridine
CID 11046087
5-(N-[2-thiophenecarbonyl]amino)-3-(1-methylpiperidin-4-yl)pyrrolo[3,2-b]pyridine
CID 11056946
N-[5-(4,10-Dihydro-1-thia-9-aza-benzo[f]azulene-9-carbonyl)-pyridin-2-yl]-5-fluoro-2-methyl-benzamide
CID 22099567
N-(2-amino-1-phenylethyl)-4-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
CID 24803956
2-[(5-Fluoro-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
CID 25127142

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-[5-methyl-3-(5-methylthiophen-2-yl)-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[4-[5-methyl-3-(5-methylthiophen-2-yl)-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide (CID 162687197) is 2-(4-fluorophenyl)-N-[4-[5-methyl-3-(5-methylthiophen-2-yl)-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-[5-methyl-3-(5-methylthiophen-2-yl)-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[4-[5-methyl-3-(5-methylthiophen-2-yl)-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide is Cc1ccc(-c2c(-c3ccnc(NC(=O)C(C)c4ccc(F)cc4)c3)[nH]c3ccn(C)c(=O)c23)s1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[4-[5-methyl-3-(5-methylthiophen-2-yl)-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide?
The InChIKey is JIUXQQJKSDSLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4O2S/c1-15-4-9-21(35-15)24-23-20(11-13-32(3)27(23)34)30-25(24)18-10-12-29-22(14-18)31-26(33)16(2)17-5-7-19(28)8-6-17/h4-14,16,30H,1-3H3,(H,29,31,33).
What are the key properties of 2-(4-fluorophenyl)-N-[4-[5-methyl-3-(5-methylthiophen-2-yl)-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide?
2-(4-fluorophenyl)-N-[4-[5-methyl-3-(5-methylthiophen-2-yl)-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide has a molecular weight of 486.57 g/mol, XLogP of 5.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[4-[5-methyl-3-(5-methylthiophen-2-yl)-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide is sourced from PubChem (CID 162687197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).