2-[(3S,3aS,7aR)-1-(cyclopropanecarbonyl)-3-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-N-cyclopentylacetamide

C24H32FN3O2 — CID 92570298

IUPAC2-[(3S,3aS,7aR)-1-(cyclopropanecarbonyl)-3-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-N-cyclopentylacetamide
SMILESO=C(CN1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1)CN2C(=O)C1CC1)NC1CCCC1
InChIInChI=1S/C24H32FN3O2/c25-18-9-7-16(8-10-18)20-14-28(24(30)17-5-6-17)22-11-12-27(13-21(20)22)15-23(29)26-19-3-1-2-4-19/h7-10,17,19-22H,1-6,11-15H2,(H,26,29)/t20-,21-,22-/m1/s1
InChIKeyAUYQJWDQRUSYRX-YPAWHYETSA-N
MW413.54 g/mol
LogP2.91
Rot. Bonds5

About 2-[(3S,3aS,7aR)-1-(cyclopropanecarbonyl)-3-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-N-cyclopentylacetamide

2-[(3S,3aS,7aR)-1-(cyclopropanecarbonyl)-3-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-N-cyclopentylacetamide (PubChem CID 92570298) has the molecular formula C24H32FN3O2 and a molecular weight of 413.54 g/mol. Its IUPAC name is 2-[(3S,3aS,7aR)-1-(cyclopropanecarbonyl)-3-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[(3S,3aS,7aR)-1-(cyclopropanecarbonyl)-3-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-N-cyclopentylacetamide
PubChem CID92570298
Molecular FormulaC24H32FN3O2
Molecular Weight413.54 g/mol
Exact Mass413.25
IUPAC Name2-[(3S,3aS,7aR)-1-(cyclopropanecarbonyl)-3-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-N-cyclopentylacetamide
SMILESO=C(CN1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1)CN2C(=O)C1CC1)NC1CCCC1
InChIInChI=1S/C24H32FN3O2/c25-18-9-7-16(8-10-18)20-14-28(24(30)17-5-6-17)22-11-12-27(13-21(20)22)15-23(29)26-19-3-1-2-4-19/h7-10,17,19-22H,1-6,11-15H2,(H,26,29)/t20-,21-,22-/m1/s1
InChIKeyAUYQJWDQRUSYRX-YPAWHYETSA-N
XLogP2.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3S,3aS,7aR)-1-(cyclopropanecarbonyl)-3-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-N-cyclopentylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3S,3aS,7aR)-3-(4-fluorophenyl)-1-propanoyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-N,N-diethylacetamide
CID 92585491
[(3R,3aR,7aS)-5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-1-yl]-cyclobutylmethanone
CID 92596509
[(3S,3aS,7aR)-3-(4-methoxyphenyl)-5-(pyridin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-1-yl]-cyclopentylmethanone
CID 92596675
1-[(3S,3aS,7aR)-5-[(3,4-difluorophenyl)methyl]-3-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-1-yl]propan-1-one
CID 92585496
1-[(3S,3aS,7aR)-3-(4-fluorophenyl)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-1-yl]propan-1-one
CID 92585510
N-[1-(4-fluorophenyl)piperidin-4-yl]-2-(3-hydroxypiperidin-1-yl)acetamide
CID 118786399
2-[(3S,3aS,7aR)-1-acetyl-3-(4-methoxyphenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-N-(4-acetamidophenyl)acetamide
CID 110152600
3-[(3R,3aR,7aS)-1-(cyclobutanecarbonyl)-3-(4-methoxyphenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]propanamide
CID 95795747
[(3R,3aR,7aS)-5-(cyclopropylmethyl)-3-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-1-yl]-pyridin-3-ylmethanone
CID 92570492
[(3R,3aR,7aS)-5-(cyclohexylmethyl)-3-thiophen-3-yl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-1-yl]-cyclobutylmethanone
CID 92578403
2-[4-[(2S)-2-(4-fluorophenyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 97142895
[(3S,3aS,7aR)-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-1-yl]-pyridin-2-ylmethanone
CID 53378287

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,3aS,7aR)-1-(cyclopropanecarbonyl)-3-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-N-cyclopentylacetamide?
The IUPAC name of 2-[(3S,3aS,7aR)-1-(cyclopropanecarbonyl)-3-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-N-cyclopentylacetamide (CID 92570298) is 2-[(3S,3aS,7aR)-1-(cyclopropanecarbonyl)-3-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[(3S,3aS,7aR)-1-(cyclopropanecarbonyl)-3-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[(3S,3aS,7aR)-1-(cyclopropanecarbonyl)-3-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-N-cyclopentylacetamide is O=C(CN1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1)CN2C(=O)C1CC1)NC1CCCC1.
What is the InChIKey of 2-[(3S,3aS,7aR)-1-(cyclopropanecarbonyl)-3-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-N-cyclopentylacetamide?
The InChIKey is AUYQJWDQRUSYRX-YPAWHYETSA-N. The full InChI is InChI=1S/C24H32FN3O2/c25-18-9-7-16(8-10-18)20-14-28(24(30)17-5-6-17)22-11-12-27(13-21(20)22)15-23(29)26-19-3-1-2-4-19/h7-10,17,19-22H,1-6,11-15H2,(H,26,29)/t20-,21-,22-/m1/s1.
What are the key properties of 2-[(3S,3aS,7aR)-1-(cyclopropanecarbonyl)-3-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-N-cyclopentylacetamide?
2-[(3S,3aS,7aR)-1-(cyclopropanecarbonyl)-3-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-N-cyclopentylacetamide has a molecular weight of 413.54 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,3aS,7aR)-1-(cyclopropanecarbonyl)-3-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-N-cyclopentylacetamide is sourced from PubChem (CID 92570298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).