6-[6-cyclopropyl-4-[2-(1-ethylimidazol-2-yl)-4-fluorophenyl]-2-pyridinyl]-4-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

C27H24FN5O — CID 172608879

IUPAC6-[6-cyclopropyl-4-[2-(1-ethylimidazol-2-yl)-4-fluorophenyl]-2-pyridinyl]-4-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCCn1ccnc1-c1cc(F)ccc1-c1cc(C2CC2)nc(-n2cc(C)c3cc[nH]c3c2=O)c1
InChIInChI=1S/C27H24FN5O/c1-3-32-11-10-30-26(32)22-14-19(28)6-7-21(22)18-12-23(17-4-5-17)31-24(13-18)33-15-16(2)20-8-9-29-25(20)27(33)34/h6-15,17,29H,3-5H2,1-2H3
InChIKeyNMYRMOFXPLWILY-UHFFFAOYSA-N
MW453.52 g/mol
LogP5.59
Rot. Bonds5

About 6-[6-cyclopropyl-4-[2-(1-ethylimidazol-2-yl)-4-fluorophenyl]-2-pyridinyl]-4-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

6-[6-cyclopropyl-4-[2-(1-ethylimidazol-2-yl)-4-fluorophenyl]-2-pyridinyl]-4-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 172608879) has the molecular formula C27H24FN5O and a molecular weight of 453.52 g/mol. Its IUPAC name is 6-[6-cyclopropyl-4-[2-(1-ethylimidazol-2-yl)-4-fluorophenyl]-2-pyridinyl]-4-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-[6-cyclopropyl-4-[2-(1-ethylimidazol-2-yl)-4-fluorophenyl]-2-pyridinyl]-4-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID172608879
Molecular FormulaC27H24FN5O
Molecular Weight453.52 g/mol
Exact Mass453.20
IUPAC Name6-[6-cyclopropyl-4-[2-(1-ethylimidazol-2-yl)-4-fluorophenyl]-2-pyridinyl]-4-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCCn1ccnc1-c1cc(F)ccc1-c1cc(C2CC2)nc(-n2cc(C)c3cc[nH]c3c2=O)c1
InChIInChI=1S/C27H24FN5O/c1-3-32-11-10-30-26(32)22-14-19(28)6-7-21(22)18-12-23(17-4-5-17)31-24(13-18)33-15-16(2)20-8-9-29-25(20)27(33)34/h6-15,17,29H,3-5H2,1-2H3
InChIKeyNMYRMOFXPLWILY-UHFFFAOYSA-N
XLogP5.59
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.52
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-4-cyclopropyl-6-[6-cyclopropyl-4-[4-fluoro-2-(1-methylimidazol-2-yl)phenyl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 172608716
4-[2-cyclopropyl-6-(4-cyclopropyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)-4-pyridinyl]-3-(4-methyl-1,2,4-triazol-3-yl)benzonitrile
CID 172608571
2-[2-cyclopropyl-6-[4-cyclopropyl-7-oxo-2-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-6-yl]-4-pyridinyl]-5-fluoro-N,N-dimethylbenzamide
CID 172581039
2-[(2S)-1-acetylpyrrolidin-2-yl]-5-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-7-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-4-one
CID 172608695
2-cyclopropyl-4-(5-fluoro-2-methylphenyl)-6-methylpyridine
CID 123665063
2-(1-ethylimidazol-2-yl)-5-fluoroaniline
CID 107626587
3-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)quinazolin-4-one
CID 171102168
6-[6-chloro-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 172608593
3-[6-cyclopropyl-4-[4-fluoro-2-(5-methyl-1,3-oxazol-4-yl)phenyl]-2-pyridinyl]-6-[(2-methoxyethylamino)methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 172608633
2-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-4-fluoro-6-(hydroxymethyl)-3H-isoindol-1-one
CID 165411412
4-cyclopropyl-6-[3-[4-fluoro-2-(1-methylimidazol-2-yl)phenyl]phenyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 172608451
N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropanamine
CID 177367967

Frequently Asked Questions

What is the IUPAC name of 6-[6-cyclopropyl-4-[2-(1-ethylimidazol-2-yl)-4-fluorophenyl]-2-pyridinyl]-4-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 6-[6-cyclopropyl-4-[2-(1-ethylimidazol-2-yl)-4-fluorophenyl]-2-pyridinyl]-4-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (CID 172608879) is 6-[6-cyclopropyl-4-[2-(1-ethylimidazol-2-yl)-4-fluorophenyl]-2-pyridinyl]-4-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-[6-cyclopropyl-4-[2-(1-ethylimidazol-2-yl)-4-fluorophenyl]-2-pyridinyl]-4-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 6-[6-cyclopropyl-4-[2-(1-ethylimidazol-2-yl)-4-fluorophenyl]-2-pyridinyl]-4-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is CCn1ccnc1-c1cc(F)ccc1-c1cc(C2CC2)nc(-n2cc(C)c3cc[nH]c3c2=O)c1.
What is the InChIKey of 6-[6-cyclopropyl-4-[2-(1-ethylimidazol-2-yl)-4-fluorophenyl]-2-pyridinyl]-4-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is NMYRMOFXPLWILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O/c1-3-32-11-10-30-26(32)22-14-19(28)6-7-21(22)18-12-23(17-4-5-17)31-24(13-18)33-15-16(2)20-8-9-29-25(20)27(33)34/h6-15,17,29H,3-5H2,1-2H3.
What are the key properties of 6-[6-cyclopropyl-4-[2-(1-ethylimidazol-2-yl)-4-fluorophenyl]-2-pyridinyl]-4-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
6-[6-cyclopropyl-4-[2-(1-ethylimidazol-2-yl)-4-fluorophenyl]-2-pyridinyl]-4-methyl-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 453.52 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-cyclopropyl-4-[2-(1-ethylimidazol-2-yl)-4-fluorophenyl]-2-pyridinyl]-4-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 172608879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).