4-fluoro-7-methyl-N-(8-oxo-1,2,3,4,4a,5,6,7,9,9a-decahydropyrido[2,3-d]azepin-9-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C19H31FN4O2 — CID 167348804

IUPAC4-fluoro-7-methyl-N-(8-oxo-1,2,3,4,4a,5,6,7,9,9a-decahydropyrido[2,3-d]azepin-9-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCC1CCC(F)C2CC(C(=O)NC3C(=O)NCCC4CCCNC43)NC12
InChIInChI=1S/C19H31FN4O2/c1-10-4-5-13(20)12-9-14(23-15(10)12)18(25)24-17-16-11(3-2-7-21-16)6-8-22-19(17)26/h10-17,21,23H,2-9H2,1H3,(H,22,26)(H,24,25)
InChIKeyGPOCXFHLNCMYSW-UHFFFAOYSA-N
MW366.48 g/mol
LogP0.47
Rot. Bonds2

About 4-fluoro-7-methyl-N-(8-oxo-1,2,3,4,4a,5,6,7,9,9a-decahydropyrido[2,3-d]azepin-9-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

4-fluoro-7-methyl-N-(8-oxo-1,2,3,4,4a,5,6,7,9,9a-decahydropyrido[2,3-d]azepin-9-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 167348804) has the molecular formula C19H31FN4O2 and a molecular weight of 366.48 g/mol. Its IUPAC name is 4-fluoro-7-methyl-N-(8-oxo-1,2,3,4,4a,5,6,7,9,9a-decahydropyrido[2,3-d]azepin-9-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-7-methyl-N-(8-oxo-1,2,3,4,4a,5,6,7,9,9a-decahydropyrido[2,3-d]azepin-9-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID167348804
Molecular FormulaC19H31FN4O2
Molecular Weight366.48 g/mol
Exact Mass366.24
IUPAC Name4-fluoro-7-methyl-N-(8-oxo-1,2,3,4,4a,5,6,7,9,9a-decahydropyrido[2,3-d]azepin-9-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCC1CCC(F)C2CC(C(=O)NC3C(=O)NCCC4CCCNC43)NC12
InChIInChI=1S/C19H31FN4O2/c1-10-4-5-13(20)12-9-14(23-15(10)12)18(25)24-17-16-11(3-2-7-21-16)6-8-22-19(17)26/h10-17,21,23H,2-9H2,1H3,(H,22,26)(H,24,25)
InChIKeyGPOCXFHLNCMYSW-UHFFFAOYSA-N
XLogP0.47
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 50.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-7-methyl-N-(8-oxo-1,2,3,4,4a,5,6,7,9,9a-decahydropyrido[2,3-d]azepin-9-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-7-methyl-N-(8-oxo-1,2,3,4,4a,5,6,7,9,9a-decahydropyrido[2,3-d]azepin-9-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of 4-fluoro-7-methyl-N-(8-oxo-1,2,3,4,4a,5,6,7,9,9a-decahydropyrido[2,3-d]azepin-9-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 167348804) is 4-fluoro-7-methyl-N-(8-oxo-1,2,3,4,4a,5,6,7,9,9a-decahydropyrido[2,3-d]azepin-9-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for 4-fluoro-7-methyl-N-(8-oxo-1,2,3,4,4a,5,6,7,9,9a-decahydropyrido[2,3-d]azepin-9-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for 4-fluoro-7-methyl-N-(8-oxo-1,2,3,4,4a,5,6,7,9,9a-decahydropyrido[2,3-d]azepin-9-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is CC1CCC(F)C2CC(C(=O)NC3C(=O)NCCC4CCCNC43)NC12.
What is the InChIKey of 4-fluoro-7-methyl-N-(8-oxo-1,2,3,4,4a,5,6,7,9,9a-decahydropyrido[2,3-d]azepin-9-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is GPOCXFHLNCMYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31FN4O2/c1-10-4-5-13(20)12-9-14(23-15(10)12)18(25)24-17-16-11(3-2-7-21-16)6-8-22-19(17)26/h10-17,21,23H,2-9H2,1H3,(H,22,26)(H,24,25).
What are the key properties of 4-fluoro-7-methyl-N-(8-oxo-1,2,3,4,4a,5,6,7,9,9a-decahydropyrido[2,3-d]azepin-9-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
4-fluoro-7-methyl-N-(8-oxo-1,2,3,4,4a,5,6,7,9,9a-decahydropyrido[2,3-d]azepin-9-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 366.48 g/mol, XLogP of 0.47, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-7-methyl-N-(8-oxo-1,2,3,4,4a,5,6,7,9,9a-decahydropyrido[2,3-d]azepin-9-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 167348804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).