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

C22H17F3N4O2 — CID 166526823

IUPACN-[(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
SMILESCN(C(=O)c1cc2c(F)cccn2c1)[C@H]1CNCc2[nH]c(=O)c3cc(F)c(F)cc3c21
InChIInChI=1S/C22H17F3N4O2/c1-28(22(31)11-5-18-14(23)3-2-4-29(18)10-11)19-9-26-8-17-20(19)12-6-15(24)16(25)7-13(12)21(30)27-17/h2-7,10,19,26H,8-9H2,1H3,(H,27,30)/t19-/m0/s1
InChIKeyUKTNLQSROVLQLD-IBGZPJMESA-N
MW426.40 g/mol
LogP3.11
Rot. Bonds2

About 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

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 (PubChem CID 166526823) has the molecular formula C22H17F3N4O2 and a molecular weight of 426.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID166526823
Molecular FormulaC22H17F3N4O2
Molecular Weight426.40 g/mol
Exact Mass426.13
IUPAC NameN-[(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
SMILESCN(C(=O)c1cc2c(F)cccn2c1)[C@H]1CNCc2[nH]c(=O)c3cc(F)c(F)cc3c21
InChIInChI=1S/C22H17F3N4O2/c1-28(22(31)11-5-18-14(23)3-2-4-29(18)10-11)19-9-26-8-17-20(19)12-6-15(24)16(25)7-13(12)21(30)27-17/h2-7,10,19,26H,8-9H2,1H3,(H,27,30)/t19-/m0/s1
InChIKeyUKTNLQSROVLQLD-IBGZPJMESA-N
XLogP3.11
TPSA69.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C(=O)c1cc2c(F)cccn2c1)[C@H]1CNCc2[nH]c(=O)c3cc(F)c(F)cc3c21.
What is the InChIKey of 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?
The InChIKey is UKTNLQSROVLQLD-IBGZPJMESA-N. The full InChI is InChI=1S/C22H17F3N4O2/c1-28(22(31)11-5-18-14(23)3-2-4-29(18)10-11)19-9-26-8-17-20(19)12-6-15(24)16(25)7-13(12)21(30)27-17/h2-7,10,19,26H,8-9H2,1H3,(H,27,30)/t19-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 426.40 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166526823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).