3-[1-(5-chloro-1,2-dihydropyridin-2-yl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-1,7-dimethyl-5H-pyrrolo[3,2-c]pyridin-4-one

C20H21ClN4O2 — CID 155372680

IUPAC3-[1-(5-chloro-1,2-dihydropyridin-2-yl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-1,7-dimethyl-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCc1c[nH]c(=O)c2c(C(=O)N3CC4CC4(C4C=CC(Cl)=CN4)C3)cn(C)c12
InChIInChI=1S/C20H21ClN4O2/c1-11-6-23-18(26)16-14(9-24(2)17(11)16)19(27)25-8-12-5-20(12,10-25)15-4-3-13(21)7-22-15/h3-4,6-7,9,12,15,22H,5,8,10H2,1-2H3,(H,23,26)
InChIKeyZTZUIBXPRRWWQZ-UHFFFAOYSA-N
MW384.87 g/mol
LogP2.25
Rot. Bonds2

About 3-[1-(5-chloro-1,2-dihydropyridin-2-yl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-1,7-dimethyl-5H-pyrrolo[3,2-c]pyridin-4-one

3-[1-(5-chloro-1,2-dihydropyridin-2-yl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-1,7-dimethyl-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 155372680) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 3-[1-(5-chloro-1,2-dihydropyridin-2-yl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-1,7-dimethyl-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-[1-(5-chloro-1,2-dihydropyridin-2-yl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-1,7-dimethyl-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID155372680
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name3-[1-(5-chloro-1,2-dihydropyridin-2-yl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-1,7-dimethyl-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCc1c[nH]c(=O)c2c(C(=O)N3CC4CC4(C4C=CC(Cl)=CN4)C3)cn(C)c12
InChIInChI=1S/C20H21ClN4O2/c1-11-6-23-18(26)16-14(9-24(2)17(11)16)19(27)25-8-12-5-20(12,10-25)15-4-3-13(21)7-22-15/h3-4,6-7,9,12,15,22H,5,8,10H2,1-2H3,(H,23,26)
InChIKeyZTZUIBXPRRWWQZ-UHFFFAOYSA-N
XLogP2.25
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[1-(5-chloro-1,2-dihydropyridin-2-yl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-1,7-dimethyl-5H-pyrrolo[3,2-c]pyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-chloro-1,2-dihydropyridin-2-yl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-1,7-dimethyl-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 3-[1-(5-chloro-1,2-dihydropyridin-2-yl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-1,7-dimethyl-5H-pyrrolo[3,2-c]pyridin-4-one (CID 155372680) is 3-[1-(5-chloro-1,2-dihydropyridin-2-yl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-1,7-dimethyl-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-[1-(5-chloro-1,2-dihydropyridin-2-yl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-1,7-dimethyl-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-[1-(5-chloro-1,2-dihydropyridin-2-yl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-1,7-dimethyl-5H-pyrrolo[3,2-c]pyridin-4-one is Cc1c[nH]c(=O)c2c(C(=O)N3CC4CC4(C4C=CC(Cl)=CN4)C3)cn(C)c12.
What is the InChIKey of 3-[1-(5-chloro-1,2-dihydropyridin-2-yl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-1,7-dimethyl-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is ZTZUIBXPRRWWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-11-6-23-18(26)16-14(9-24(2)17(11)16)19(27)25-8-12-5-20(12,10-25)15-4-3-13(21)7-22-15/h3-4,6-7,9,12,15,22H,5,8,10H2,1-2H3,(H,23,26).
What are the key properties of 3-[1-(5-chloro-1,2-dihydropyridin-2-yl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-1,7-dimethyl-5H-pyrrolo[3,2-c]pyridin-4-one?
3-[1-(5-chloro-1,2-dihydropyridin-2-yl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-1,7-dimethyl-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 384.87 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-chloro-1,2-dihydropyridin-2-yl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-1,7-dimethyl-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 155372680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).