3-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7H-cyclopenta[c]pyridine-6-carboxamide

About 3-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7H-cyclopenta[c]pyridine-6-carboxamide

3-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7H-cyclopenta[c]pyridine-6-carboxamide (PubChem CID 167708429) has the molecular formula C23H26ClN5O3 and a molecular weight of 455.95 g/mol. Its IUPAC name is 3-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7H-cyclopenta[c]pyridine-6-carboxamide.

Molecular Properties

Compound Name	3-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7H-cyclopenta[c]pyridine-6-carboxamide
PubChem CID	167708429
Molecular Formula	C23H26ClN5O3
Molecular Weight	455.95 g/mol
Exact Mass	455.17
IUPAC Name	3-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7H-cyclopenta[c]pyridine-6-carboxamide
SMILES	N#C[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)C1=Cc2cc(Cl)ncc2C1
InChI	InChI=1S/C23H26ClN5O3/c24-20-10-15-7-16(8-17(15)12-27-20)22(31)29-19(6-13-3-4-13)23(32)28-18(11-25)9-14-2-1-5-26-21(14)30/h7,10,12-14,18-19H,1-6,8-9H2,(H,26,30)(H,28,32)(H,29,31)/t14-,18-,19-/m0/s1
InChIKey	ZLPYEPWILMOBNK-JVPBZIDWSA-N
XLogP	1.88
TPSA	123.98 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	8
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.95
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7H-cyclopenta[c]pyridine-6-carboxamide?

The IUPAC name of 3-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7H-cyclopenta[c]pyridine-6-carboxamide (CID 167708429) is 3-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7H-cyclopenta[c]pyridine-6-carboxamide.

What is the SMILES notation for 3-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7H-cyclopenta[c]pyridine-6-carboxamide?

The canonical SMILES for 3-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7H-cyclopenta[c]pyridine-6-carboxamide is N#C[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)C1=Cc2cc(Cl)ncc2C1.

What is the InChIKey of 3-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7H-cyclopenta[c]pyridine-6-carboxamide?

The InChIKey is ZLPYEPWILMOBNK-JVPBZIDWSA-N. The full InChI is InChI=1S/C23H26ClN5O3/c24-20-10-15-7-16(8-17(15)12-27-20)22(31)29-19(6-13-3-4-13)23(32)28-18(11-25)9-14-2-1-5-26-21(14)30/h7,10,12-14,18-19H,1-6,8-9H2,(H,26,30)(H,28,32)(H,29,31)/t14-,18-,19-/m0/s1.

What are the key properties of 3-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7H-cyclopenta[c]pyridine-6-carboxamide?

3-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7H-cyclopenta[c]pyridine-6-carboxamide has a molecular weight of 455.95 g/mol, XLogP of 1.88, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7H-cyclopenta[c]pyridine-6-carboxamide is sourced from PubChem (CID 167708429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).