3-[2-(cyclobutylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-(4-fluoro-2-propan-2-ylphenyl)pyrrolo[2,3-c]pyridine

C28H34FN3 — CID 134354397

IUPAC3-[2-(cyclobutylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-(4-fluoro-2-propan-2-ylphenyl)pyrrolo[2,3-c]pyridine
SMILESCC(C)c1cc(F)ccc1-n1cc(C2CC3CN(CC4CCC4)CC3C2)c2ccncc21
InChIInChI=1S/C28H34FN3/c1-18(2)25-12-23(29)6-7-27(25)32-17-26(24-8-9-30-13-28(24)32)20-10-21-15-31(16-22(21)11-20)14-19-4-3-5-19/h6-9,12-13,17-22H,3-5,10-11,14-16H2,1-2H3
InChIKeyFRPMAUDAEZCMIJ-UHFFFAOYSA-N
MW431.60 g/mol
LogP6.51
Rot. Bonds5

About 3-[2-(cyclobutylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-(4-fluoro-2-propan-2-ylphenyl)pyrrolo[2,3-c]pyridine

3-[2-(cyclobutylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-(4-fluoro-2-propan-2-ylphenyl)pyrrolo[2,3-c]pyridine (PubChem CID 134354397) has the molecular formula C28H34FN3 and a molecular weight of 431.60 g/mol. Its IUPAC name is 3-[2-(cyclobutylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-(4-fluoro-2-propan-2-ylphenyl)pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name3-[2-(cyclobutylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-(4-fluoro-2-propan-2-ylphenyl)pyrrolo[2,3-c]pyridine
PubChem CID134354397
Molecular FormulaC28H34FN3
Molecular Weight431.60 g/mol
Exact Mass431.27
IUPAC Name3-[2-(cyclobutylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-(4-fluoro-2-propan-2-ylphenyl)pyrrolo[2,3-c]pyridine
SMILESCC(C)c1cc(F)ccc1-n1cc(C2CC3CN(CC4CCC4)CC3C2)c2ccncc21
InChIInChI=1S/C28H34FN3/c1-18(2)25-12-23(29)6-7-27(25)32-17-26(24-8-9-30-13-28(24)32)20-10-21-15-31(16-22(21)11-20)14-19-4-3-5-19/h6-9,12-13,17-22H,3-5,10-11,14-16H2,1-2H3
InChIKeyFRPMAUDAEZCMIJ-UHFFFAOYSA-N
XLogP6.51
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.60
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[2-(cyclobutylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-(4-fluoro-2-propan-2-ylphenyl)pyrrolo[2,3-c]pyridine with MolForge

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Related Compounds

2-[3-[2-(cyclobutylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]pyrrolo[2,3-c]pyridin-1-yl]-5-fluorobenzaldehyde
CID 170108733
5-fluoro-2-[3-[2-[[4-(methanesulfonamido)cyclohexyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]pyrrolo[2,3-c]pyridin-1-yl]-N-methyl-N-propan-2-ylbenzamide
CID 134347759
[3-[[5-[1-[4-fluoro-2-[methyl(propan-2-yl)carbamoyl]phenyl]pyrrolo[2,3-c]pyridin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]cyclobutyl]carbamic acid
CID 134347785
acetamide;2-[3-[1-(2-cyclohexylethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide
CID 142307185
2-[3-[1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-yl]pyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide
CID 134347827
N-ethyl-5-fluoro-2-[3-[(3S)-1-[[4-(methanesulfonamido)cyclohexyl]methyl]pyrrolidin-3-yl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide
CID 170108912
5-fluoro-2-[3-(2-methyl-2-azaspiro[3.5]nonan-7-yl)pyrrolo[2,3-c]pyridin-1-yl]benzaldehyde
CID 170108487
1-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-piperidin-4-ylpyrrolo[2,3-c]pyridine
CID 134347849
[4-[2-[4-[1-[4-fluoro-2-[methyl(propan-2-yl)carbamoyl]phenyl]pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethyl]piperidin-1-yl]methanesulfinic acid
CID 138708116
5-fluoro-2-[3-[4-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]cyclohexyl]pyrrolo[2,3-c]pyridin-1-yl]-N-methyl-N-propan-2-ylbenzamide
CID 134347731
N-ethyl-5-fluoro-2-[3-[(3S)-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidin-3-yl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide
CID 134347721
N-ethyl-5-fluoro-2-[3-[(3R)-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidin-3-yl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide
CID 134347791

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclobutylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-(4-fluoro-2-propan-2-ylphenyl)pyrrolo[2,3-c]pyridine?
The IUPAC name of 3-[2-(cyclobutylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-(4-fluoro-2-propan-2-ylphenyl)pyrrolo[2,3-c]pyridine (CID 134354397) is 3-[2-(cyclobutylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-(4-fluoro-2-propan-2-ylphenyl)pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 3-[2-(cyclobutylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-(4-fluoro-2-propan-2-ylphenyl)pyrrolo[2,3-c]pyridine?
The canonical SMILES for 3-[2-(cyclobutylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-(4-fluoro-2-propan-2-ylphenyl)pyrrolo[2,3-c]pyridine is CC(C)c1cc(F)ccc1-n1cc(C2CC3CN(CC4CCC4)CC3C2)c2ccncc21.
What is the InChIKey of 3-[2-(cyclobutylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-(4-fluoro-2-propan-2-ylphenyl)pyrrolo[2,3-c]pyridine?
The InChIKey is FRPMAUDAEZCMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN3/c1-18(2)25-12-23(29)6-7-27(25)32-17-26(24-8-9-30-13-28(24)32)20-10-21-15-31(16-22(21)11-20)14-19-4-3-5-19/h6-9,12-13,17-22H,3-5,10-11,14-16H2,1-2H3.
What are the key properties of 3-[2-(cyclobutylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-(4-fluoro-2-propan-2-ylphenyl)pyrrolo[2,3-c]pyridine?
3-[2-(cyclobutylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-(4-fluoro-2-propan-2-ylphenyl)pyrrolo[2,3-c]pyridine has a molecular weight of 431.60 g/mol, XLogP of 6.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclobutylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-(4-fluoro-2-propan-2-ylphenyl)pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 134354397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).