(1R,2S,3R)-3-[[6-chloro-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]bicyclo[2.2.0]hex-5-ene-2-carboxamide

C24H25ClN6O2 — CID 118650237

About (1R,2S,3R)-3-[[6-chloro-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]bicyclo[2.2.0]hex-5-ene-2-carboxamide

(1R,2S,3R)-3-[[6-chloro-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]bicyclo[2.2.0]hex-5-ene-2-carboxamide (PubChem CID 118650237) has the molecular formula C24H25ClN6O2 and a molecular weight of 464.96 g/mol. Its IUPAC name is (1R,2S,3R)-3-[[6-chloro-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]bicyclo[2.2.0]hex-5-ene-2-carboxamide.

Molecular Properties

• Compound Name: (1R,2S,3R)-3-[[6-chloro-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]bicyclo[2.2.0]hex-5-ene-2-carboxamide
• PubChem CID: 118650237
• Molecular Formula: C24H25ClN6O2
• Molecular Weight: 464.96 g/mol
• Exact Mass: 464.17
• IUPAC Name: (1R,2S,3R)-3-[[6-chloro-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]bicyclo[2.2.0]hex-5-ene-2-carboxamide
• SMILES: NC(=O)[C@H]1[C@@H]2C=CC2[C@H]1Nc1c(Cl)cnc2nc(-c3ccc(CN4CCOCC4)cc3)[nH]c12
• InChI: InChI=1S/C24H25ClN6O2/c25-17-11-27-24-21(20(17)28-19-16-6-5-15(16)18(19)22(26)32)29-23(30-24)14-3-1-13(2-4-14)12-31-7-9-33-10-8-31/h1-6,11,15-16,18-19H,7-10,12H2,(H2,26,32)(H2,27,28,29,30)/t15-,16?,18+,19-/m1/s1
• InChIKey: NUOJAFPRCLINDO-QAKAPOOCSA-N
• XLogP: 2.81
• TPSA: 109.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.96
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R)-3-[[6-chloro-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]bicyclo[2.2.0]hex-5-ene-2-carboxamide?

The IUPAC name of (1R,2S,3R)-3-[[6-chloro-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]bicyclo[2.2.0]hex-5-ene-2-carboxamide (CID 118650237) is (1R,2S,3R)-3-[[6-chloro-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]bicyclo[2.2.0]hex-5-ene-2-carboxamide.

What is the SMILES notation for (1R,2S,3R)-3-[[6-chloro-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]bicyclo[2.2.0]hex-5-ene-2-carboxamide?

The canonical SMILES for (1R,2S,3R)-3-[[6-chloro-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]bicyclo[2.2.0]hex-5-ene-2-carboxamide is NC(=O)[C@H]1[C@@H]2C=CC2[C@H]1Nc1c(Cl)cnc2nc(-c3ccc(CN4CCOCC4)cc3)[nH]c12.

What is the InChIKey of (1R,2S,3R)-3-[[6-chloro-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]bicyclo[2.2.0]hex-5-ene-2-carboxamide?

The InChIKey is NUOJAFPRCLINDO-QAKAPOOCSA-N. The full InChI is InChI=1S/C24H25ClN6O2/c25-17-11-27-24-21(20(17)28-19-16-6-5-15(16)18(19)22(26)32)29-23(30-24)14-3-1-13(2-4-14)12-31-7-9-33-10-8-31/h1-6,11,15-16,18-19H,7-10,12H2,(H2,26,32)(H2,27,28,29,30)/t15-,16?,18+,19-/m1/s1.

What are the key properties of (1R,2S,3R)-3-[[6-chloro-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]bicyclo[2.2.0]hex-5-ene-2-carboxamide?

(1R,2S,3R)-3-[[6-chloro-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]bicyclo[2.2.0]hex-5-ene-2-carboxamide has a molecular weight of 464.96 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2S,3R)-3-[[6-chloro-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]bicyclo[2.2.0]hex-5-ene-2-carboxamide is sourced from PubChem (CID 118650237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).