N-[(1R)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methylindolizine-6-carboxamide

C22H18FN3O3 — CID 166526866

IUPACN-[(1R)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methylindolizine-6-carboxamide
SMILESCN(C(=O)c1ccc2cccn2c1)[C@H]1COCc2[nH]c(=O)c3cc(F)ccc3c21
InChIInChI=1S/C22H18FN3O3/c1-25(22(28)13-4-6-15-3-2-8-26(15)10-13)19-12-29-11-18-20(19)16-7-5-14(23)9-17(16)21(27)24-18/h2-10,19H,11-12H2,1H3,(H,24,27)/t19-/m0/s1
InChIKeyMUOIDPUHCILPLG-IBGZPJMESA-N
MW391.40 g/mol
LogP3.26
Rot. Bonds2

About N-[(1R)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methylindolizine-6-carboxamide

N-[(1R)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methylindolizine-6-carboxamide (PubChem CID 166526866) has the molecular formula C22H18FN3O3 and a molecular weight of 391.40 g/mol. Its IUPAC name is N-[(1R)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methylindolizine-6-carboxamide.

Molecular Properties

Compound NameN-[(1R)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methylindolizine-6-carboxamide
PubChem CID166526866
Molecular FormulaC22H18FN3O3
Molecular Weight391.40 g/mol
Exact Mass391.13
IUPAC NameN-[(1R)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methylindolizine-6-carboxamide
SMILESCN(C(=O)c1ccc2cccn2c1)[C@H]1COCc2[nH]c(=O)c3cc(F)ccc3c21
InChIInChI=1S/C22H18FN3O3/c1-25(22(28)13-4-6-15-3-2-8-26(15)10-13)19-12-29-11-18-20(19)16-7-5-14(23)9-17(16)21(27)24-18/h2-10,19H,11-12H2,1H3,(H,24,27)/t19-/m0/s1
InChIKeyMUOIDPUHCILPLG-IBGZPJMESA-N
XLogP3.26
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methylindolizine-6-carboxamide?
The IUPAC name of N-[(1R)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methylindolizine-6-carboxamide (CID 166526866) is N-[(1R)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methylindolizine-6-carboxamide.
What is the SMILES notation for N-[(1R)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methylindolizine-6-carboxamide?
The canonical SMILES for N-[(1R)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methylindolizine-6-carboxamide is CN(C(=O)c1ccc2cccn2c1)[C@H]1COCc2[nH]c(=O)c3cc(F)ccc3c21.
What is the InChIKey of N-[(1R)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methylindolizine-6-carboxamide?
The InChIKey is MUOIDPUHCILPLG-IBGZPJMESA-N. The full InChI is InChI=1S/C22H18FN3O3/c1-25(22(28)13-4-6-15-3-2-8-26(15)10-13)19-12-29-11-18-20(19)16-7-5-14(23)9-17(16)21(27)24-18/h2-10,19H,11-12H2,1H3,(H,24,27)/t19-/m0/s1.
What are the key properties of N-[(1R)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methylindolizine-6-carboxamide?
N-[(1R)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methylindolizine-6-carboxamide has a molecular weight of 391.40 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methylindolizine-6-carboxamide is sourced from PubChem (CID 166526866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).