2-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-N-(5-cyano-2-pyridinyl)propanamide

C25H24FN5O — CID 155087641

IUPAC2-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-N-(5-cyano-2-pyridinyl)propanamide
SMILESCC(C(=O)Nc1ccc(C#N)cn1)N1C[C@H]2CC(c3ccnc4ccc(F)cc34)C[C@H]2C1
InChIInChI=1S/C25H24FN5O/c1-15(25(32)30-24-5-2-16(11-27)12-29-24)31-13-18-8-17(9-19(18)14-31)21-6-7-28-23-4-3-20(26)10-22(21)23/h2-7,10,12,15,17-19H,8-9,13-14H2,1H3,(H,29,30,32)/t15?,17?,18-,19+
InChIKeyQMMHABDIAKTROS-XPYVTTBUSA-N
MW429.50 g/mol
LogP4.09
Rot. Bonds4

About 2-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-N-(5-cyano-2-pyridinyl)propanamide

2-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-N-(5-cyano-2-pyridinyl)propanamide (PubChem CID 155087641) has the molecular formula C25H24FN5O and a molecular weight of 429.50 g/mol. Its IUPAC name is 2-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-N-(5-cyano-2-pyridinyl)propanamide.

Molecular Properties

Compound Name2-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-N-(5-cyano-2-pyridinyl)propanamide
PubChem CID155087641
Molecular FormulaC25H24FN5O
Molecular Weight429.50 g/mol
Exact Mass429.20
IUPAC Name2-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-N-(5-cyano-2-pyridinyl)propanamide
SMILESCC(C(=O)Nc1ccc(C#N)cn1)N1C[C@H]2CC(c3ccnc4ccc(F)cc34)C[C@H]2C1
InChIInChI=1S/C25H24FN5O/c1-15(25(32)30-24-5-2-16(11-27)12-29-24)31-13-18-8-17(9-19(18)14-31)21-6-7-28-23-4-3-20(26)10-22(21)23/h2-7,10,12,15,17-19H,8-9,13-14H2,1H3,(H,29,30,32)/t15?,17?,18-,19+
InChIKeyQMMHABDIAKTROS-XPYVTTBUSA-N
XLogP4.09
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-N-(5-cyano-2-pyridinyl)propanamide with MolForge

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Related Compounds

2-[(3aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 155016575
2-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-2-methyl-N-(5-prop-1-ynyl-2-pyridinyl)propanamide
CID 155087691
6-[3-[(3aS,6aR)-2-fluoro-5-(6-fluoroquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-oxopropyl]pyridine-3-carbonitrile
CID 158089922
6-[3-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-2-oxobutyl]pyridine-3-carbonitrile;2-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]propanoyl chloride;6-aminopyridine-3-carbonitrile
CID 158852110
(3aR,6aS)-N-(5-chloro-2-pyridinyl)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalene-2-carboxamide
CID 163881708
1-(4-cyanophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]urea
CID 121332539
methyl (2R)-2-[(3aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]propanoate
CID 155016560
2-[5-[(6-fluoroquinolin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propanoic acid
CID 152583849
2-[(3aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)propanamide
CID 147503377
2-[5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(6-prop-1-ynyl-3-pyridinyl)propanamide
CID 155016477
ethyl 2-[(3aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]propanoate
CID 155016691
(2R)-2-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]propanamide
CID 146266914

Frequently Asked Questions

What is the IUPAC name of 2-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-N-(5-cyano-2-pyridinyl)propanamide?
The IUPAC name of 2-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-N-(5-cyano-2-pyridinyl)propanamide (CID 155087641) is 2-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-N-(5-cyano-2-pyridinyl)propanamide.
What is the SMILES notation for 2-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-N-(5-cyano-2-pyridinyl)propanamide?
The canonical SMILES for 2-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-N-(5-cyano-2-pyridinyl)propanamide is CC(C(=O)Nc1ccc(C#N)cn1)N1C[C@H]2CC(c3ccnc4ccc(F)cc34)C[C@H]2C1.
What is the InChIKey of 2-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-N-(5-cyano-2-pyridinyl)propanamide?
The InChIKey is QMMHABDIAKTROS-XPYVTTBUSA-N. The full InChI is InChI=1S/C25H24FN5O/c1-15(25(32)30-24-5-2-16(11-27)12-29-24)31-13-18-8-17(9-19(18)14-31)21-6-7-28-23-4-3-20(26)10-22(21)23/h2-7,10,12,15,17-19H,8-9,13-14H2,1H3,(H,29,30,32)/t15?,17?,18-,19+.
What are the key properties of 2-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-N-(5-cyano-2-pyridinyl)propanamide?
2-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-N-(5-cyano-2-pyridinyl)propanamide has a molecular weight of 429.50 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-N-(5-cyano-2-pyridinyl)propanamide is sourced from PubChem (CID 155087641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).