4-amino-7-cyclopropyl-1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one

C26H21F2N5O2 — CID 177182169

IUPAC4-amino-7-cyclopropyl-1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one
SMILESCn1cnc2ccc(-c3c(N)c4ncc(C5CC5)cc4n(-c4ccc(OC(F)F)cc4)c3=O)cc21
InChIInChI=1S/C26H21F2N5O2/c1-32-13-31-19-9-4-15(10-20(19)32)22-23(29)24-21(11-16(12-30-24)14-2-3-14)33(25(22)34)17-5-7-18(8-6-17)35-26(27)28/h4-14,26H,2-3,29H2,1H3
InChIKeyKQQIACOTGJCWKT-UHFFFAOYSA-N
MW473.48 g/mol
LogP5.00
Rot. Bonds5

About 4-amino-7-cyclopropyl-1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one

4-amino-7-cyclopropyl-1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one (PubChem CID 177182169) has the molecular formula C26H21F2N5O2 and a molecular weight of 473.48 g/mol. Its IUPAC name is 4-amino-7-cyclopropyl-1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name4-amino-7-cyclopropyl-1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one
PubChem CID177182169
Molecular FormulaC26H21F2N5O2
Molecular Weight473.48 g/mol
Exact Mass473.17
IUPAC Name4-amino-7-cyclopropyl-1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one
SMILESCn1cnc2ccc(-c3c(N)c4ncc(C5CC5)cc4n(-c4ccc(OC(F)F)cc4)c3=O)cc21
InChIInChI=1S/C26H21F2N5O2/c1-32-13-31-19-9-4-15(10-20(19)32)22-23(29)24-21(11-16(12-30-24)14-2-3-14)33(25(22)34)17-5-7-18(8-6-17)35-26(27)28/h4-14,26H,2-3,29H2,1H3
InChIKeyKQQIACOTGJCWKT-UHFFFAOYSA-N
XLogP5.00
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.48
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-1-[4-(difluoromethoxy)phenyl]-7-(ethylamino)-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one
CID 177182306
4-amino-1-[4-(difluoromethoxy)phenyl]-3-(2-propan-2-ylindazol-5-yl)-7-(trifluoromethyl)-1,5-naphthyridin-2-one
CID 177182236
4-amino-3-(4-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-7-(trifluoromethyl)-1,5-naphthyridin-2-one
CID 177182182
8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 156805218
4-amino-3-bromo-1-[4-(difluoromethoxy)phenyl]-7-methyl-1,5-naphthyridin-2-one
CID 177182274
8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-2-(2,2,2-trifluoroethoxy)pyrido[2,3-d]pyrimidin-7-one
CID 156805234
1-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-4-(methylamino)-7-(trifluoromethyl)-1,5-naphthyridin-2-one
CID 177182194
3-[4-(difluoromethoxy)phenyl]-5-[(1Z,3Z)-3-ethoxyhexa-1,3-dienyl]-4-methyl-1-(3-methylbenzimidazol-5-yl)pyridin-2-one
CID 139552167
6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole
CID 90095898
4-(3-methylbenzimidazol-5-yl)-1H-pyrazol-5-amine
CID 117304063
2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]-6-quinolin-6-ylpyrido[4,3-d]pyrimidin-7-one
CID 155674856
8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-(methoxymethyl)-3-methylbenzimidazol-5-yl]pteridin-7-one
CID 167273113

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-cyclopropyl-1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one?
The IUPAC name of 4-amino-7-cyclopropyl-1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one (CID 177182169) is 4-amino-7-cyclopropyl-1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one.
What is the SMILES notation for 4-amino-7-cyclopropyl-1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one?
The canonical SMILES for 4-amino-7-cyclopropyl-1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one is Cn1cnc2ccc(-c3c(N)c4ncc(C5CC5)cc4n(-c4ccc(OC(F)F)cc4)c3=O)cc21.
What is the InChIKey of 4-amino-7-cyclopropyl-1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one?
The InChIKey is KQQIACOTGJCWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N5O2/c1-32-13-31-19-9-4-15(10-20(19)32)22-23(29)24-21(11-16(12-30-24)14-2-3-14)33(25(22)34)17-5-7-18(8-6-17)35-26(27)28/h4-14,26H,2-3,29H2,1H3.
What are the key properties of 4-amino-7-cyclopropyl-1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one?
4-amino-7-cyclopropyl-1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one has a molecular weight of 473.48 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-cyclopropyl-1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one is sourced from PubChem (CID 177182169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).