8-fluoro-N-methyl-N-(8-methyl-6-oxo-9-phosphanyl-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)indolizine-2-carboxamide

C23H21FN3O3P — CID 175615079

IUPAC8-fluoro-N-methyl-N-(8-methyl-6-oxo-9-phosphanyl-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)indolizine-2-carboxamide
SMILESCc1cc2c(=O)[nH]c3c(c2cc1P)C(N(C)C(=O)c1cc2c(F)cccn2c1)COC3
InChIInChI=1S/C23H21FN3O3P/c1-12-6-15-14(8-20(12)31)21-17(25-22(15)28)10-30-11-19(21)26(2)23(29)13-7-18-16(24)4-3-5-27(18)9-13/h3-9,19H,10-11,31H2,1-2H3,(H,25,28)
InChIKeyFGGJZONZDXUBMN-UHFFFAOYSA-N
MW437.41 g/mol
LogP3.07
Rot. Bonds2

About 8-fluoro-N-methyl-N-(8-methyl-6-oxo-9-phosphanyl-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)indolizine-2-carboxamide

8-fluoro-N-methyl-N-(8-methyl-6-oxo-9-phosphanyl-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)indolizine-2-carboxamide (PubChem CID 175615079) has the molecular formula C23H21FN3O3P and a molecular weight of 437.41 g/mol. Its IUPAC name is 8-fluoro-N-methyl-N-(8-methyl-6-oxo-9-phosphanyl-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)indolizine-2-carboxamide.

Molecular Properties

Compound Name8-fluoro-N-methyl-N-(8-methyl-6-oxo-9-phosphanyl-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)indolizine-2-carboxamide
PubChem CID175615079
Molecular FormulaC23H21FN3O3P
Molecular Weight437.41 g/mol
Exact Mass437.13
IUPAC Name8-fluoro-N-methyl-N-(8-methyl-6-oxo-9-phosphanyl-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)indolizine-2-carboxamide
SMILESCc1cc2c(=O)[nH]c3c(c2cc1P)C(N(C)C(=O)c1cc2c(F)cccn2c1)COC3
InChIInChI=1S/C23H21FN3O3P/c1-12-6-15-14(8-20(12)31)21-17(25-22(15)28)10-30-11-19(21)26(2)23(29)13-7-18-16(24)4-3-5-27(18)9-13/h3-9,19H,10-11,31H2,1-2H3,(H,25,28)
InChIKeyFGGJZONZDXUBMN-UHFFFAOYSA-N
XLogP3.07
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-fluoro-N-methyl-N-(8-methyl-6-oxo-9-phosphanyl-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)indolizine-2-carboxamide with MolForge

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Related Compounds

N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-8-fluoro-N-methylindolizine-2-carboxamide
CID 166526823
N-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydrothiopyrano[3,4-c]isoquinolin-1-yl]-8-fluoro-N-methylindolizine-2-carboxamide
CID 166526917
N-[(1R)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methylindolizine-6-carboxamide
CID 166526866
N-(8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methylindolizine-1-carboxamide
CID 166526670
N-[(1R)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide
CID 166526952
N-[(1R)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methyl-5,6,7,8-tetrahydroindolizine-2-carboxamide
CID 166527013
N-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-3-(3-fluorophenyl)-N-methylbenzamide
CID 167525062
3-bromo-N-(8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-4-fluoro-N-methylbenzamide
CID 166526199
8-(difluoromethyl)-N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methylindolizine-2-carboxamide
CID 166526061
N-(9-fluoro-8-methyl-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methylquinoline-7-carboxamide
CID 175615132
N-(8-fluoro-9-methyl-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N-methylindolizine-6-carboxamide
CID 163919840
N-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-4-(4-fluorophenoxy)-N-methylbenzamide
CID 166525975

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-methyl-N-(8-methyl-6-oxo-9-phosphanyl-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)indolizine-2-carboxamide?
The IUPAC name of 8-fluoro-N-methyl-N-(8-methyl-6-oxo-9-phosphanyl-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)indolizine-2-carboxamide (CID 175615079) is 8-fluoro-N-methyl-N-(8-methyl-6-oxo-9-phosphanyl-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)indolizine-2-carboxamide.
What is the SMILES notation for 8-fluoro-N-methyl-N-(8-methyl-6-oxo-9-phosphanyl-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)indolizine-2-carboxamide?
The canonical SMILES for 8-fluoro-N-methyl-N-(8-methyl-6-oxo-9-phosphanyl-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)indolizine-2-carboxamide is Cc1cc2c(=O)[nH]c3c(c2cc1P)C(N(C)C(=O)c1cc2c(F)cccn2c1)COC3.
What is the InChIKey of 8-fluoro-N-methyl-N-(8-methyl-6-oxo-9-phosphanyl-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)indolizine-2-carboxamide?
The InChIKey is FGGJZONZDXUBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN3O3P/c1-12-6-15-14(8-20(12)31)21-17(25-22(15)28)10-30-11-19(21)26(2)23(29)13-7-18-16(24)4-3-5-27(18)9-13/h3-9,19H,10-11,31H2,1-2H3,(H,25,28).
What are the key properties of 8-fluoro-N-methyl-N-(8-methyl-6-oxo-9-phosphanyl-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)indolizine-2-carboxamide?
8-fluoro-N-methyl-N-(8-methyl-6-oxo-9-phosphanyl-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)indolizine-2-carboxamide has a molecular weight of 437.41 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-methyl-N-(8-methyl-6-oxo-9-phosphanyl-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)indolizine-2-carboxamide is sourced from PubChem (CID 175615079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).