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

C22H21F2N3O3 — CID 166527013

IUPACN-[(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
SMILESCN(C(=O)c1cc2n(c1)CCCC2)[C@H]1COCc2[nH]c(=O)c3cc(F)c(F)cc3c21
InChIInChI=1S/C22H21F2N3O3/c1-26(22(29)12-6-13-4-2-3-5-27(13)9-12)19-11-30-10-18-20(19)14-7-16(23)17(24)8-15(14)21(28)25-18/h6-9,19H,2-5,10-11H2,1H3,(H,25,28)/t19-/m0/s1
InChIKeyTZOMTEPRZIABIZ-IBGZPJMESA-N
MW413.42 g/mol
LogP3.29
Rot. Bonds2

About 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

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 (PubChem CID 166527013) has the molecular formula C22H21F2N3O3 and a molecular weight of 413.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID166527013
Molecular FormulaC22H21F2N3O3
Molecular Weight413.42 g/mol
Exact Mass413.16
IUPAC NameN-[(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
SMILESCN(C(=O)c1cc2n(c1)CCCC2)[C@H]1COCc2[nH]c(=O)c3cc(F)c(F)cc3c21
InChIInChI=1S/C22H21F2N3O3/c1-26(22(29)12-6-13-4-2-3-5-27(13)9-12)19-11-30-10-18-20(19)14-7-16(23)17(24)8-15(14)21(28)25-18/h6-9,19H,2-5,10-11H2,1H3,(H,25,28)/t19-/m0/s1
InChIKeyTZOMTEPRZIABIZ-IBGZPJMESA-N
XLogP3.29
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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

Launch Full Analysis

Related Compounds

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
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
5-chloro-N-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 166526835
4-cyano-N-[(1R)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-3-fluoro-N-methylbenzamide
CID 166525974
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
N-(8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-5,6-difluoro-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 166526595
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-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methyl-1,3-benzoxazole-6-carboxamide
CID 167525133
N-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-3-(2-hydroxypropan-2-yl)-N-methylbenzamide
CID 166526393
4-bromo-N-(8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-2,5-difluoro-N-methylbenzamide
CID 166526545
N-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methyl-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide
CID 166526449
N-[(1R)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-3-fluoro-N-methyl-5-phenoxybenzamide
CID 166526544

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C(=O)c1cc2n(c1)CCCC2)[C@H]1COCc2[nH]c(=O)c3cc(F)c(F)cc3c21.
What is the InChIKey of 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?
The InChIKey is TZOMTEPRZIABIZ-IBGZPJMESA-N. The full InChI is InChI=1S/C22H21F2N3O3/c1-26(22(29)12-6-13-4-2-3-5-27(13)9-12)19-11-30-10-18-20(19)14-7-16(23)17(24)8-15(14)21(28)25-18/h6-9,19H,2-5,10-11H2,1H3,(H,25,28)/t19-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 413.42 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166527013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).