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

C21H16F2N4O3 — CID 166526952

IUPACN-[(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
SMILESCN(C(=O)c1ccc2nccn2c1)[C@H]1COCc2[nH]c(=O)c3cc(F)c(F)cc3c21
InChIInChI=1S/C21H16F2N4O3/c1-26(21(29)11-2-3-18-24-4-5-27(18)8-11)17-10-30-9-16-19(17)12-6-14(22)15(23)7-13(12)20(28)25-16/h2-8,17H,9-10H2,1H3,(H,25,28)/t17-/m0/s1
InChIKeyUUYKFWOKZBCGDF-KRWDZBQOSA-N
MW410.38 g/mol
LogP2.80
Rot. Bonds2

About 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

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 (PubChem CID 166526952) has the molecular formula C21H16F2N4O3 and a molecular weight of 410.38 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-methylimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(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
PubChem CID166526952
Molecular FormulaC21H16F2N4O3
Molecular Weight410.38 g/mol
Exact Mass410.12
IUPAC NameN-[(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
SMILESCN(C(=O)c1ccc2nccn2c1)[C@H]1COCc2[nH]c(=O)c3cc(F)c(F)cc3c21
InChIInChI=1S/C21H16F2N4O3/c1-26(21(29)11-2-3-18-24-4-5-27(18)8-11)17-10-30-9-16-19(17)12-6-14(22)15(23)7-13(12)20(28)25-16/h2-8,17H,9-10H2,1H3,(H,25,28)/t17-/m0/s1
InChIKeyUUYKFWOKZBCGDF-KRWDZBQOSA-N
XLogP2.80
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-methylimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 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) is 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.
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-methylimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 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 is CN(C(=O)c1ccc2nccn2c1)[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-methylimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is UUYKFWOKZBCGDF-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H16F2N4O3/c1-26(21(29)11-2-3-18-24-4-5-27(18)8-11)17-10-30-9-16-19(17)12-6-14(22)15(23)7-13(12)20(28)25-16/h2-8,17H,9-10H2,1H3,(H,25,28)/t17-/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-methylimidazo[1,2-a]pyridine-6-carboxamide?
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 has a molecular weight of 410.38 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 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-methylimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 166526952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).