N-[[3-[2-(azetidin-1-yl)-3-fluoro-4-pyridinyl]-1,7-naphthyridin-6-yl]methyl]-4-cyano-3,4-dihydro-1H-isochromene-6-carboxamide

C28H23FN6O2 — CID 156818835

IUPACN-[[3-[2-(azetidin-1-yl)-3-fluoro-4-pyridinyl]-1,7-naphthyridin-6-yl]methyl]-4-cyano-3,4-dihydro-1H-isochromene-6-carboxamide
SMILESN#CC1COCc2ccc(C(=O)NCc3cc4cc(-c5ccnc(N6CCC6)c5F)cnc4cn3)cc21
InChIInChI=1S/C28H23FN6O2/c29-26-23(4-5-31-27(26)35-6-1-7-35)20-8-19-9-22(32-14-25(19)33-12-20)13-34-28(36)17-2-3-18-15-37-16-21(11-30)24(18)10-17/h2-5,8-10,12,14,21H,1,6-7,13,15-16H2,(H,34,36)
InChIKeyBSSUTJIFOCEBFU-UHFFFAOYSA-N
MW494.53 g/mol
LogP4.11
Rot. Bonds5

About N-[[3-[2-(azetidin-1-yl)-3-fluoro-4-pyridinyl]-1,7-naphthyridin-6-yl]methyl]-4-cyano-3,4-dihydro-1H-isochromene-6-carboxamide

N-[[3-[2-(azetidin-1-yl)-3-fluoro-4-pyridinyl]-1,7-naphthyridin-6-yl]methyl]-4-cyano-3,4-dihydro-1H-isochromene-6-carboxamide (PubChem CID 156818835) has the molecular formula C28H23FN6O2 and a molecular weight of 494.53 g/mol. Its IUPAC name is N-[[3-[2-(azetidin-1-yl)-3-fluoro-4-pyridinyl]-1,7-naphthyridin-6-yl]methyl]-4-cyano-3,4-dihydro-1H-isochromene-6-carboxamide.

Molecular Properties

Compound NameN-[[3-[2-(azetidin-1-yl)-3-fluoro-4-pyridinyl]-1,7-naphthyridin-6-yl]methyl]-4-cyano-3,4-dihydro-1H-isochromene-6-carboxamide
PubChem CID156818835
Molecular FormulaC28H23FN6O2
Molecular Weight494.53 g/mol
Exact Mass494.19
IUPAC NameN-[[3-[2-(azetidin-1-yl)-3-fluoro-4-pyridinyl]-1,7-naphthyridin-6-yl]methyl]-4-cyano-3,4-dihydro-1H-isochromene-6-carboxamide
SMILESN#CC1COCc2ccc(C(=O)NCc3cc4cc(-c5ccnc(N6CCC6)c5F)cnc4cn3)cc21
InChIInChI=1S/C28H23FN6O2/c29-26-23(4-5-31-27(26)35-6-1-7-35)20-8-19-9-22(32-14-25(19)33-12-20)13-34-28(36)17-2-3-18-15-37-16-21(11-30)24(18)10-17/h2-5,8-10,12,14,21H,1,6-7,13,15-16H2,(H,34,36)
InChIKeyBSSUTJIFOCEBFU-UHFFFAOYSA-N
XLogP4.11
TPSA104.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.53
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[3-[2-(azetidin-1-yl)-3-fluoro-4-pyridinyl]-1,7-naphthyridin-6-yl]methyl]-4-cyano-3,4-dihydro-1H-isochromene-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(azetidin-1-yl)-3-fluoro-4-pyridinyl]-1,7-naphthyridin-6-yl]methyl]-4-cyano-3,4-dihydro-1H-isochromene-6-carboxamide?
The IUPAC name of N-[[3-[2-(azetidin-1-yl)-3-fluoro-4-pyridinyl]-1,7-naphthyridin-6-yl]methyl]-4-cyano-3,4-dihydro-1H-isochromene-6-carboxamide (CID 156818835) is N-[[3-[2-(azetidin-1-yl)-3-fluoro-4-pyridinyl]-1,7-naphthyridin-6-yl]methyl]-4-cyano-3,4-dihydro-1H-isochromene-6-carboxamide.
What is the SMILES notation for N-[[3-[2-(azetidin-1-yl)-3-fluoro-4-pyridinyl]-1,7-naphthyridin-6-yl]methyl]-4-cyano-3,4-dihydro-1H-isochromene-6-carboxamide?
The canonical SMILES for N-[[3-[2-(azetidin-1-yl)-3-fluoro-4-pyridinyl]-1,7-naphthyridin-6-yl]methyl]-4-cyano-3,4-dihydro-1H-isochromene-6-carboxamide is N#CC1COCc2ccc(C(=O)NCc3cc4cc(-c5ccnc(N6CCC6)c5F)cnc4cn3)cc21.
What is the InChIKey of N-[[3-[2-(azetidin-1-yl)-3-fluoro-4-pyridinyl]-1,7-naphthyridin-6-yl]methyl]-4-cyano-3,4-dihydro-1H-isochromene-6-carboxamide?
The InChIKey is BSSUTJIFOCEBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN6O2/c29-26-23(4-5-31-27(26)35-6-1-7-35)20-8-19-9-22(32-14-25(19)33-12-20)13-34-28(36)17-2-3-18-15-37-16-21(11-30)24(18)10-17/h2-5,8-10,12,14,21H,1,6-7,13,15-16H2,(H,34,36).
What are the key properties of N-[[3-[2-(azetidin-1-yl)-3-fluoro-4-pyridinyl]-1,7-naphthyridin-6-yl]methyl]-4-cyano-3,4-dihydro-1H-isochromene-6-carboxamide?
N-[[3-[2-(azetidin-1-yl)-3-fluoro-4-pyridinyl]-1,7-naphthyridin-6-yl]methyl]-4-cyano-3,4-dihydro-1H-isochromene-6-carboxamide has a molecular weight of 494.53 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(azetidin-1-yl)-3-fluoro-4-pyridinyl]-1,7-naphthyridin-6-yl]methyl]-4-cyano-3,4-dihydro-1H-isochromene-6-carboxamide is sourced from PubChem (CID 156818835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).