(1S,5R)-2-(2-chloro-4-pyridinyl)-4-(4-cyclopropyl-3-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one;(1R,5S)-2-(2-chloro-4-pyridinyl)-4-(4-cyclopropyl-3-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one

C34H30Cl2N8O2 — CID 157251268

IUPAC(1S,5R)-2-(2-chloro-4-pyridinyl)-4-(4-cyclopropyl-3-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one;(1R,5S)-2-(2-chloro-4-pyridinyl)-4-(4-cyclopropyl-3-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one
SMILESO=C1N(c2ccnc(Cl)c2)[C@@H]2C[C@@H]2N1c1cnccc1C1CC1.O=C1N(c2cnccc2C2CC2)[C@@H]2C[C@@H]2N1c1ccnc(Cl)c1
InChIInChI=1S/2C17H15ClN4O/c2*18-16-7-11(3-6-20-16)21-13-8-14(13)22(17(21)23)15-9-19-5-4-12(15)10-1-2-10/h2*3-7,9-10,13-14H,1-2,8H2/t2*13-,14+/m10/s1
InChIKeyAWJIOGTUYUEQHH-DZYJZKBLSA-N
MW653.57 g/mol
LogP7.19
Rot. Bonds6

About (1S,5R)-2-(2-chloro-4-pyridinyl)-4-(4-cyclopropyl-3-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one;(1R,5S)-2-(2-chloro-4-pyridinyl)-4-(4-cyclopropyl-3-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one

(1S,5R)-2-(2-chloro-4-pyridinyl)-4-(4-cyclopropyl-3-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one;(1R,5S)-2-(2-chloro-4-pyridinyl)-4-(4-cyclopropyl-3-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one (PubChem CID 157251268) has the molecular formula C34H30Cl2N8O2 and a molecular weight of 653.57 g/mol. Its IUPAC name is (1S,5R)-2-(2-chloro-4-pyridinyl)-4-(4-cyclopropyl-3-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one;(1R,5S)-2-(2-chloro-4-pyridinyl)-4-(4-cyclopropyl-3-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one.

Molecular Properties

Compound Name(1S,5R)-2-(2-chloro-4-pyridinyl)-4-(4-cyclopropyl-3-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one;(1R,5S)-2-(2-chloro-4-pyridinyl)-4-(4-cyclopropyl-3-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one
PubChem CID157251268
Molecular FormulaC34H30Cl2N8O2
Molecular Weight653.57 g/mol
Exact Mass652.19
IUPAC Name(1S,5R)-2-(2-chloro-4-pyridinyl)-4-(4-cyclopropyl-3-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one;(1R,5S)-2-(2-chloro-4-pyridinyl)-4-(4-cyclopropyl-3-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one
SMILESO=C1N(c2ccnc(Cl)c2)[C@@H]2C[C@@H]2N1c1cnccc1C1CC1.O=C1N(c2cnccc2C2CC2)[C@@H]2C[C@@H]2N1c1ccnc(Cl)c1
InChIInChI=1S/2C17H15ClN4O/c2*18-16-7-11(3-6-20-16)21-13-8-14(13)22(17(21)23)15-9-19-5-4-12(15)10-1-2-10/h2*3-7,9-10,13-14H,1-2,8H2/t2*13-,14+/m10/s1
InChIKeyAWJIOGTUYUEQHH-DZYJZKBLSA-N
XLogP7.19
TPSA98.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.57
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1S,5R)-2-(2-chloro-4-pyridinyl)-4-(4-cyclopropyl-3-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one;(1R,5S)-2-(2-chloro-4-pyridinyl)-4-(4-cyclopropyl-3-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-Chloropyridin-4-yl)-3-(4-cyclopropylpyridin-3-yl)imidazolidin-2-one
CID 66576412
1-(4-Cyclopropylpyridin-3-yl)-3-(2,6-dichloropyridin-4-yl)imidazolidin-2-one
CID 66576894
1-(2-Chloro-6-cyclopropylpyridin-4-yl)-3-(4-cyclopropylpyridin-3-yl)imidazolidin-2-one
CID 66576895
US9029399, 30A-II
CID 66576899
(1R,5S)-2-(2-chloro-4-pyridinyl)-4-(4-cyclopropyl-3-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one
CID 66576974
(1R,5S)-2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one;(1S,5R)-2-(4-cyclopropyl-3-pyridinyl)-4-[2-(trifluoromethyl)-4-pyridinyl]-2,4-diazabicyclo[3.1.0]hexan-3-one
CID 157126607
3-[[5-Chloro-1-(4-fluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one
CID 158174786
2-(2-Chloro-4-pyridinyl)-4-(4-cyclopropyl-3-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one
CID 77147195
(1S,5S)-2-(2-chloro-4-pyridinyl)-4-(4-cyclopropyl-3-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one
CID 118053894

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-2-(2-chloro-4-pyridinyl)-4-(4-cyclopropyl-3-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one;(1R,5S)-2-(2-chloro-4-pyridinyl)-4-(4-cyclopropyl-3-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one?
The IUPAC name of (1S,5R)-2-(2-chloro-4-pyridinyl)-4-(4-cyclopropyl-3-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one;(1R,5S)-2-(2-chloro-4-pyridinyl)-4-(4-cyclopropyl-3-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one (CID 157251268) is (1S,5R)-2-(2-chloro-4-pyridinyl)-4-(4-cyclopropyl-3-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one;(1R,5S)-2-(2-chloro-4-pyridinyl)-4-(4-cyclopropyl-3-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one.
What is the SMILES notation for (1S,5R)-2-(2-chloro-4-pyridinyl)-4-(4-cyclopropyl-3-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one;(1R,5S)-2-(2-chloro-4-pyridinyl)-4-(4-cyclopropyl-3-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one?
The canonical SMILES for (1S,5R)-2-(2-chloro-4-pyridinyl)-4-(4-cyclopropyl-3-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one;(1R,5S)-2-(2-chloro-4-pyridinyl)-4-(4-cyclopropyl-3-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one is O=C1N(c2ccnc(Cl)c2)[C@@H]2C[C@@H]2N1c1cnccc1C1CC1.O=C1N(c2cnccc2C2CC2)[C@@H]2C[C@@H]2N1c1ccnc(Cl)c1.
What is the InChIKey of (1S,5R)-2-(2-chloro-4-pyridinyl)-4-(4-cyclopropyl-3-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one;(1R,5S)-2-(2-chloro-4-pyridinyl)-4-(4-cyclopropyl-3-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one?
The InChIKey is AWJIOGTUYUEQHH-DZYJZKBLSA-N. The full InChI is InChI=1S/2C17H15ClN4O/c2*18-16-7-11(3-6-20-16)21-13-8-14(13)22(17(21)23)15-9-19-5-4-12(15)10-1-2-10/h2*3-7,9-10,13-14H,1-2,8H2/t2*13-,14+/m10/s1.
What are the key properties of (1S,5R)-2-(2-chloro-4-pyridinyl)-4-(4-cyclopropyl-3-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one;(1R,5S)-2-(2-chloro-4-pyridinyl)-4-(4-cyclopropyl-3-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one?
(1S,5R)-2-(2-chloro-4-pyridinyl)-4-(4-cyclopropyl-3-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one;(1R,5S)-2-(2-chloro-4-pyridinyl)-4-(4-cyclopropyl-3-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one has a molecular weight of 653.57 g/mol, XLogP of 7.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-2-(2-chloro-4-pyridinyl)-4-(4-cyclopropyl-3-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one;(1R,5S)-2-(2-chloro-4-pyridinyl)-4-(4-cyclopropyl-3-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one is sourced from PubChem (CID 157251268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).