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5-[[3-[5-(2-propan-2-yl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C28H27N5O3 — CID 162712891

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-[[3-[5-(2-propan-2-yl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCC(C)c1cc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)ccn1
InChIInChI=1S/C28H27N5O3/c1-16(2)22-13-17(7-9-29-22)23-14-31-27(32-23)19-11-18-12-20(3-5-24(18)35-15-19)36-25-8-10-30-28-21(25)4-6-26(34)33-28/h3,5,7-10,12-14,16,19H,4,6,11,15H2,1-2H3,(H,31,32)(H,30,33,34)
InChIKeyPBGYARYJPXWPIG-UHFFFAOYSA-N
MW481.56 g/mol
LogP5.39
Rot. Bonds5

About 5-[[3-[5-(2-propan-2-yl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

5-[[3-[5-(2-propan-2-yl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 162712891) has the molecular formula C28H27N5O3 and a molecular weight of 481.56 g/mol. Its IUPAC name is 5-[[3-[5-(2-propan-2-yl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5-[[3-[5-(2-propan-2-yl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID162712891
Molecular FormulaC28H27N5O3
Molecular Weight481.56 g/mol
Exact Mass481.21
IUPAC Name5-[[3-[5-(2-propan-2-yl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCC(C)c1cc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)ccn1
InChIInChI=1S/C28H27N5O3/c1-16(2)22-13-17(7-9-29-22)23-14-31-27(32-23)19-11-18-12-20(3-5-24(18)35-15-19)36-25-8-10-30-28-21(25)4-6-26(34)33-28/h3,5,7-10,12-14,16,19H,4,6,11,15H2,1-2H3,(H,31,32)(H,30,33,34)
InChIKeyPBGYARYJPXWPIG-UHFFFAOYSA-N
XLogP5.39
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.56
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[3-[5-(2-propan-2-yl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-[5-(2-propan-2-yl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5-[[3-[5-(2-propan-2-yl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 162712891) is 5-[[3-[5-(2-propan-2-yl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5-[[3-[5-(2-propan-2-yl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5-[[3-[5-(2-propan-2-yl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is CC(C)c1cc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)ccn1.
What is the InChIKey of 5-[[3-[5-(2-propan-2-yl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is PBGYARYJPXWPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O3/c1-16(2)22-13-17(7-9-29-22)23-14-31-27(32-23)19-11-18-12-20(3-5-24(18)35-15-19)36-25-8-10-30-28-21(25)4-6-26(34)33-28/h3,5,7-10,12-14,16,19H,4,6,11,15H2,1-2H3,(H,31,32)(H,30,33,34).
What are the key properties of 5-[[3-[5-(2-propan-2-yl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
5-[[3-[5-(2-propan-2-yl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 481.56 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[5-(2-propan-2-yl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 162712891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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