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

C25H24N6O3 — CID 162712857

IUPAC5-[[3-[5-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCc1nn(C)cc1-c1cnc(C2COc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)[nH]1
InChIInChI=1S/C25H24N6O3/c1-14-19(12-31(2)30-14)20-11-27-24(28-20)16-9-15-10-17(3-5-21(15)33-13-16)34-22-7-8-26-25-18(22)4-6-23(32)29-25/h3,5,7-8,10-12,16H,4,6,9,13H2,1-2H3,(H,27,28)(H,26,29,32)
InChIKeyJTCAHNFEXHBKCY-UHFFFAOYSA-N
MW456.51 g/mol
LogP3.91
Rot. Bonds4

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

5-[[3-[5-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 162712857) has the molecular formula C25H24N6O3 and a molecular weight of 456.51 g/mol. Its IUPAC name is 5-[[3-[5-(1,3-dimethylpyrazol-4-yl)-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-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID162712857
Molecular FormulaC25H24N6O3
Molecular Weight456.51 g/mol
Exact Mass456.19
IUPAC Name5-[[3-[5-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCc1nn(C)cc1-c1cnc(C2COc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)[nH]1
InChIInChI=1S/C25H24N6O3/c1-14-19(12-31(2)30-14)20-11-27-24(28-20)16-9-15-10-17(3-5-21(15)33-13-16)34-22-7-8-26-25-18(22)4-6-23(32)29-25/h3,5,7-8,10-12,16H,4,6,9,13H2,1-2H3,(H,27,28)(H,26,29,32)
InChIKeyJTCAHNFEXHBKCY-UHFFFAOYSA-N
XLogP3.91
TPSA106.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[3-[5-(1,3-dimethylpyrazol-4-yl)-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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Launch Full Analysis

Related Compounds

5-[[3-[5-(2-methyl-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 163641755
5-[[(3S)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 162772352
5-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 118948531
ethane;5-[[3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 145030753
5-[[3-[5-(5-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 162712999
5-[[(3R)-3-[5-[2-(difluoromethyl)-4-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 162772345
5-[[3-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine
CID 135232178
5-[[3-(4-methyl-1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 163561075
5-[[3-(4,6-dimethyl-1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 163909174
5-[[3-(5-acetyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 162712938
5-[[3-[4-[(dimethylamino)methyl]-6-methyl-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 163561076
5-[[3-(5-pyridin-4-yl-3H-pyrrol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 158835012

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[5-(1,3-dimethylpyrazol-4-yl)-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-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 162712857) is 5-[[3-[5-(1,3-dimethylpyrazol-4-yl)-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-(1,3-dimethylpyrazol-4-yl)-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-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is Cc1nn(C)cc1-c1cnc(C2COc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)[nH]1.
What is the InChIKey of 5-[[3-[5-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is JTCAHNFEXHBKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3/c1-14-19(12-31(2)30-14)20-11-27-24(28-20)16-9-15-10-17(3-5-21(15)33-13-16)34-22-7-8-26-25-18(22)4-6-23(32)29-25/h3,5,7-8,10-12,16H,4,6,9,13H2,1-2H3,(H,27,28)(H,26,29,32).
What are the key properties of 5-[[3-[5-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
5-[[3-[5-(1,3-dimethylpyrazol-4-yl)-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 456.51 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[5-(1,3-dimethylpyrazol-4-yl)-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 162712857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).