1-cyclopropyl-6-(4,6-dimethyl-1H-indole-2-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one

C22H27N3O2 — CID 75387005

IUPAC1-cyclopropyl-6-(4,6-dimethyl-1H-indole-2-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
SMILESCc1cc(C)c2cc(C(=O)N3CCC4C(CCC(=O)N4C4CC4)C3)[nH]c2c1
InChIInChI=1S/C22H27N3O2/c1-13-9-14(2)17-11-19(23-18(17)10-13)22(27)24-8-7-20-15(12-24)3-6-21(26)25(20)16-4-5-16/h9-11,15-16,20,23H,3-8,12H2,1-2H3
InChIKeyWBMWIDOHCYDNPT-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.40
Rot. Bonds2

About 1-cyclopropyl-6-(4,6-dimethyl-1H-indole-2-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one

1-cyclopropyl-6-(4,6-dimethyl-1H-indole-2-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one (PubChem CID 75387005) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-cyclopropyl-6-(4,6-dimethyl-1H-indole-2-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-6-(4,6-dimethyl-1H-indole-2-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
PubChem CID75387005
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-cyclopropyl-6-(4,6-dimethyl-1H-indole-2-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
SMILESCc1cc(C)c2cc(C(=O)N3CCC4C(CCC(=O)N4C4CC4)C3)[nH]c2c1
InChIInChI=1S/C22H27N3O2/c1-13-9-14(2)17-11-19(23-18(17)10-13)22(27)24-8-7-20-15(12-24)3-6-21(26)25(20)16-4-5-16/h9-11,15-16,20,23H,3-8,12H2,1-2H3
InChIKeyWBMWIDOHCYDNPT-UHFFFAOYSA-N
XLogP3.40
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-6-(4,6-dimethyl-1H-indole-2-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-(4,6-dimethyl-1H-indole-2-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The IUPAC name of 1-cyclopropyl-6-(4,6-dimethyl-1H-indole-2-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one (CID 75387005) is 1-cyclopropyl-6-(4,6-dimethyl-1H-indole-2-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-6-(4,6-dimethyl-1H-indole-2-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The canonical SMILES for 1-cyclopropyl-6-(4,6-dimethyl-1H-indole-2-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one is Cc1cc(C)c2cc(C(=O)N3CCC4C(CCC(=O)N4C4CC4)C3)[nH]c2c1.
What is the InChIKey of 1-cyclopropyl-6-(4,6-dimethyl-1H-indole-2-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The InChIKey is WBMWIDOHCYDNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-13-9-14(2)17-11-19(23-18(17)10-13)22(27)24-8-7-20-15(12-24)3-6-21(26)25(20)16-4-5-16/h9-11,15-16,20,23H,3-8,12H2,1-2H3.
What are the key properties of 1-cyclopropyl-6-(4,6-dimethyl-1H-indole-2-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
1-cyclopropyl-6-(4,6-dimethyl-1H-indole-2-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one has a molecular weight of 365.48 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-(4,6-dimethyl-1H-indole-2-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one is sourced from PubChem (CID 75387005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).