(2,2-dimethylazetidin-1-yl)-[7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl]methanone

C24H30N4O — CID 178179386

IUPAC(2,2-dimethylazetidin-1-yl)-[7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl]methanone
SMILESCc1cccc(C)c1CNc1nc(C(=O)N2CCC2(C)C)cc2c(C)c(C)[nH]c12
InChIInChI=1S/C24H30N4O/c1-14-8-7-9-15(2)19(14)13-25-22-21-18(16(3)17(4)26-21)12-20(27-22)23(29)28-11-10-24(28,5)6/h7-9,12,26H,10-11,13H2,1-6H3,(H,25,27)
InChIKeyKGFORAOFIIJWJN-UHFFFAOYSA-N
MW390.53 g/mol
LogP5.03
Rot. Bonds4

About (2,2-dimethylazetidin-1-yl)-[7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl]methanone

(2,2-dimethylazetidin-1-yl)-[7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl]methanone (PubChem CID 178179386) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is (2,2-dimethylazetidin-1-yl)-[7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(2,2-dimethylazetidin-1-yl)-[7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl]methanone
PubChem CID178179386
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name(2,2-dimethylazetidin-1-yl)-[7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl]methanone
SMILESCc1cccc(C)c1CNc1nc(C(=O)N2CCC2(C)C)cc2c(C)c(C)[nH]c12
InChIInChI=1S/C24H30N4O/c1-14-8-7-9-15(2)19(14)13-25-22-21-18(16(3)17(4)26-21)12-20(27-22)23(29)28-11-10-24(28,5)6/h7-9,12,26H,10-11,13H2,1-6H3,(H,25,27)
InChIKeyKGFORAOFIIJWJN-UHFFFAOYSA-N
XLogP5.03
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylazetidin-1-yl)-[7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl]methanone?
The IUPAC name of (2,2-dimethylazetidin-1-yl)-[7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl]methanone (CID 178179386) is (2,2-dimethylazetidin-1-yl)-[7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl]methanone.
What is the SMILES notation for (2,2-dimethylazetidin-1-yl)-[7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl]methanone?
The canonical SMILES for (2,2-dimethylazetidin-1-yl)-[7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl]methanone is Cc1cccc(C)c1CNc1nc(C(=O)N2CCC2(C)C)cc2c(C)c(C)[nH]c12.
What is the InChIKey of (2,2-dimethylazetidin-1-yl)-[7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl]methanone?
The InChIKey is KGFORAOFIIJWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-14-8-7-9-15(2)19(14)13-25-22-21-18(16(3)17(4)26-21)12-20(27-22)23(29)28-11-10-24(28,5)6/h7-9,12,26H,10-11,13H2,1-6H3,(H,25,27).
What are the key properties of (2,2-dimethylazetidin-1-yl)-[7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl]methanone?
(2,2-dimethylazetidin-1-yl)-[7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl]methanone has a molecular weight of 390.53 g/mol, XLogP of 5.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylazetidin-1-yl)-[7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 178179386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).