(4S)-N-[(2S)-1-[(2-amino-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide

C24H30FN5O2 — CID 176761532

About (4S)-N-[(2S)-1-[(2-amino-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide

(4S)-N-[(2S)-1-[(2-amino-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 176761532) has the molecular formula C24H30FN5O2 and a molecular weight of 439.54 g/mol. Its IUPAC name is (4S)-N-[(2S)-1-[(2-amino-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (4S)-N-[(2S)-1-[(2-amino-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
• PubChem CID: 176761532
• Molecular Formula: C24H30FN5O2
• Molecular Weight: 439.54 g/mol
• Exact Mass: 439.24
• IUPAC Name: (4S)-N-[(2S)-1-[(2-amino-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
• SMILES: Cc1cc2c(nc1N)CCC2NC(=O)[C@H](C)NC(=O)C1C[C@H](Cc2ccc(F)cc2)CN1
• InChI: InChI=1S/C24H30FN5O2/c1-13-9-18-19(29-22(13)26)7-8-20(18)30-23(31)14(2)28-24(32)21-11-16(12-27-21)10-15-3-5-17(25)6-4-15/h3-6,9,14,16,20-21,27H,7-8,10-12H2,1-2H3,(H2,26,29)(H,28,32)(H,30,31)/t14-,16-,20?,21?/m0/s1
• InChIKey: NUKDGPZCSKDMDS-LFIVQJGESA-N
• XLogP: 1.94
• TPSA: 109.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.54
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(2S)-1-[(2-amino-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide?

The IUPAC name of (4S)-N-[(2S)-1-[(2-amino-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide (CID 176761532) is (4S)-N-[(2S)-1-[(2-amino-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (4S)-N-[(2S)-1-[(2-amino-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide?

The canonical SMILES for (4S)-N-[(2S)-1-[(2-amino-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide is Cc1cc2c(nc1N)CCC2NC(=O)[C@H](C)NC(=O)C1C[C@H](Cc2ccc(F)cc2)CN1.

What is the InChIKey of (4S)-N-[(2S)-1-[(2-amino-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide?

The InChIKey is NUKDGPZCSKDMDS-LFIVQJGESA-N. The full InChI is InChI=1S/C24H30FN5O2/c1-13-9-18-19(29-22(13)26)7-8-20(18)30-23(31)14(2)28-24(32)21-11-16(12-27-21)10-15-3-5-17(25)6-4-15/h3-6,9,14,16,20-21,27H,7-8,10-12H2,1-2H3,(H2,26,29)(H,28,32)(H,30,31)/t14-,16-,20?,21?/m0/s1.

What are the key properties of (4S)-N-[(2S)-1-[(2-amino-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide?

(4S)-N-[(2S)-1-[(2-amino-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 1.94, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-N-[(2S)-1-[(2-amino-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 176761532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).