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

C23H27F2N5O2 — CID 172549826

IUPAC(2R,4S)-N-[(2S)-1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-(2,3-difluorophenyl)piperidine-2-carboxamide
SMILESC[C@H](NC(=O)[C@H]1C[C@@H](c2cccc(F)c2F)CCN1)C(=O)NC1CCc2nc(N)ccc21
InChIInChI=1S/C23H27F2N5O2/c1-12(22(31)30-18-7-6-17-15(18)5-8-20(26)29-17)28-23(32)19-11-13(9-10-27-19)14-3-2-4-16(24)21(14)25/h2-5,8,12-13,18-19,27H,6-7,9-11H2,1H3,(H2,26,29)(H,28,32)(H,30,31)/t12-,13-,18?,19+/m0/s1
InChIKeyNOLWOPCHUPBZIK-HNBPALPRSA-N
MW443.50 g/mol
LogP2.09
Rot. Bonds5

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

(2R,4S)-N-[(2S)-1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-(2,3-difluorophenyl)piperidine-2-carboxamide (PubChem CID 172549826) has the molecular formula C23H27F2N5O2 and a molecular weight of 443.50 g/mol. Its IUPAC name is (2R,4S)-N-[(2S)-1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-(2,3-difluorophenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-[(2S)-1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-(2,3-difluorophenyl)piperidine-2-carboxamide
PubChem CID172549826
Molecular FormulaC23H27F2N5O2
Molecular Weight443.50 g/mol
Exact Mass443.21
IUPAC Name(2R,4S)-N-[(2S)-1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-(2,3-difluorophenyl)piperidine-2-carboxamide
SMILESC[C@H](NC(=O)[C@H]1C[C@@H](c2cccc(F)c2F)CCN1)C(=O)NC1CCc2nc(N)ccc21
InChIInChI=1S/C23H27F2N5O2/c1-12(22(31)30-18-7-6-17-15(18)5-8-20(26)29-17)28-23(32)19-11-13(9-10-27-19)14-3-2-4-16(24)21(14)25/h2-5,8,12-13,18-19,27H,6-7,9-11H2,1H3,(H2,26,29)(H,28,32)(H,30,31)/t12-,13-,18?,19+/m0/s1
InChIKeyNOLWOPCHUPBZIK-HNBPALPRSA-N
XLogP2.09
TPSA109.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2R,4S)-N-[(2S)-1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-(2,3-difluorophenyl)piperidine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-[(2S)-1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-(2,3-difluorophenyl)piperidine-2-carboxamide?
The IUPAC name of (2R,4S)-N-[(2S)-1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-(2,3-difluorophenyl)piperidine-2-carboxamide (CID 172549826) is (2R,4S)-N-[(2S)-1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-(2,3-difluorophenyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-N-[(2S)-1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-(2,3-difluorophenyl)piperidine-2-carboxamide?
The canonical SMILES for (2R,4S)-N-[(2S)-1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-(2,3-difluorophenyl)piperidine-2-carboxamide is C[C@H](NC(=O)[C@H]1C[C@@H](c2cccc(F)c2F)CCN1)C(=O)NC1CCc2nc(N)ccc21.
What is the InChIKey of (2R,4S)-N-[(2S)-1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-(2,3-difluorophenyl)piperidine-2-carboxamide?
The InChIKey is NOLWOPCHUPBZIK-HNBPALPRSA-N. The full InChI is InChI=1S/C23H27F2N5O2/c1-12(22(31)30-18-7-6-17-15(18)5-8-20(26)29-17)28-23(32)19-11-13(9-10-27-19)14-3-2-4-16(24)21(14)25/h2-5,8,12-13,18-19,27H,6-7,9-11H2,1H3,(H2,26,29)(H,28,32)(H,30,31)/t12-,13-,18?,19+/m0/s1.
What are the key properties of (2R,4S)-N-[(2S)-1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-(2,3-difluorophenyl)piperidine-2-carboxamide?
(2R,4S)-N-[(2S)-1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-(2,3-difluorophenyl)piperidine-2-carboxamide has a molecular weight of 443.50 g/mol, XLogP of 2.09, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-[(2S)-1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-(2,3-difluorophenyl)piperidine-2-carboxamide is sourced from PubChem (CID 172549826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).