(2R)-N-[1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-fluoro-4-(4-fluorophenyl)piperidine-2-carboxamide

C23H27F2N5O2 — CID 175446020

About (2R)-N-[1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-fluoro-4-(4-fluorophenyl)piperidine-2-carboxamide

(2R)-N-[1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-fluoro-4-(4-fluorophenyl)piperidine-2-carboxamide (PubChem CID 175446020) has the molecular formula C23H27F2N5O2 and a molecular weight of 443.50 g/mol. Its IUPAC name is (2R)-N-[1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-fluoro-4-(4-fluorophenyl)piperidine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-[1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-fluoro-4-(4-fluorophenyl)piperidine-2-carboxamide
• PubChem CID: 175446020
• Molecular Formula: C23H27F2N5O2
• Molecular Weight: 443.50 g/mol
• Exact Mass: 443.21
• IUPAC Name: (2R)-N-[1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-fluoro-4-(4-fluorophenyl)piperidine-2-carboxamide
• SMILES: CC(NC(=O)[C@H]1CC(F)(c2ccc(F)cc2)CCN1)C(=O)NC1CCc2nc(N)ccc21
• InChI: InChI=1S/C23H27F2N5O2/c1-13(21(31)30-18-8-7-17-16(18)6-9-20(26)29-17)28-22(32)19-12-23(25,10-11-27-19)14-2-4-15(24)5-3-14/h2-6,9,13,18-19,27H,7-8,10-12H2,1H3,(H2,26,29)(H,28,32)(H,30,31)/t13?,18?,19-,23?/m1/s1
• InChIKey: HOLXGBUIFDONJF-COVAXFGXSA-N
• XLogP: 2.03
• TPSA: 109.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.50
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (2R)-N-[1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-fluoro-4-(4-fluorophenyl)piperidine-2-carboxamide (CID 175446020) is (2R)-N-[1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-fluoro-4-(4-fluorophenyl)piperidine-2-carboxamide.

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

The canonical SMILES for (2R)-N-[1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-fluoro-4-(4-fluorophenyl)piperidine-2-carboxamide is CC(NC(=O)[C@H]1CC(F)(c2ccc(F)cc2)CCN1)C(=O)NC1CCc2nc(N)ccc21.

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

The InChIKey is HOLXGBUIFDONJF-COVAXFGXSA-N. The full InChI is InChI=1S/C23H27F2N5O2/c1-13(21(31)30-18-8-7-17-16(18)6-9-20(26)29-17)28-22(32)19-12-23(25,10-11-27-19)14-2-4-15(24)5-3-14/h2-6,9,13,18-19,27H,7-8,10-12H2,1H3,(H2,26,29)(H,28,32)(H,30,31)/t13?,18?,19-,23?/m1/s1.

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

(2R)-N-[1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-fluoro-4-(4-fluorophenyl)piperidine-2-carboxamide has a molecular weight of 443.50 g/mol, XLogP of 2.03, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-fluoro-4-(4-fluorophenyl)piperidine-2-carboxamide is sourced from PubChem (CID 175446020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).