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

C25H22F2N6O2 — CID 177182306

IUPAC4-amino-1-[4-(difluoromethoxy)phenyl]-7-(ethylamino)-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one
SMILESCCNc1cnc2c(N)c(-c3ccc4ncn(C)c4c3)c(=O)n(-c3ccc(OC(F)F)cc3)c2c1
InChIInChI=1S/C25H22F2N6O2/c1-3-29-15-11-20-23(30-12-15)22(28)21(14-4-9-18-19(10-14)32(2)13-31-18)24(34)33(20)16-5-7-17(8-6-16)35-25(26)27/h4-13,25,29H,3,28H2,1-2H3
InChIKeyVMSNYZJLYZBDOX-UHFFFAOYSA-N
MW476.49 g/mol
LogP4.55
Rot. Bonds6

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

4-amino-1-[4-(difluoromethoxy)phenyl]-7-(ethylamino)-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one (PubChem CID 177182306) has the molecular formula C25H22F2N6O2 and a molecular weight of 476.49 g/mol. Its IUPAC name is 4-amino-1-[4-(difluoromethoxy)phenyl]-7-(ethylamino)-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name4-amino-1-[4-(difluoromethoxy)phenyl]-7-(ethylamino)-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one
PubChem CID177182306
Molecular FormulaC25H22F2N6O2
Molecular Weight476.49 g/mol
Exact Mass476.18
IUPAC Name4-amino-1-[4-(difluoromethoxy)phenyl]-7-(ethylamino)-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one
SMILESCCNc1cnc2c(N)c(-c3ccc4ncn(C)c4c3)c(=O)n(-c3ccc(OC(F)F)cc3)c2c1
InChIInChI=1S/C25H22F2N6O2/c1-3-29-15-11-20-23(30-12-15)22(28)21(14-4-9-18-19(10-14)32(2)13-31-18)24(34)33(20)16-5-7-17(8-6-16)35-25(26)27/h4-13,25,29H,3,28H2,1-2H3
InChIKeyVMSNYZJLYZBDOX-UHFFFAOYSA-N
XLogP4.55
TPSA99.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.49
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-amino-7-cyclopropyl-1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one
CID 177182169
4-amino-1-[4-(difluoromethoxy)phenyl]-3-(2-propan-2-ylindazol-5-yl)-7-(trifluoromethyl)-1,5-naphthyridin-2-one
CID 177182236
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-(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-(2,2,2-trifluoroethoxy)pyrido[2,3-d]pyrimidin-7-one
CID 156805234
4-amino-3-bromo-1-[4-(difluoromethoxy)phenyl]-7-methyl-1,5-naphthyridin-2-one
CID 177182274
3-[4-(difluoromethoxy)phenyl]-5-[(1Z,3Z)-3-ethoxyhexa-1,3-dienyl]-4-methyl-1-(3-methylbenzimidazol-5-yl)pyridin-2-one
CID 139552167
1-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-4-(methylamino)-7-(trifluoromethyl)-1,5-naphthyridin-2-one
CID 177182194
6-(3-methylbenzimidazol-5-yl)-2-(2,2,2-trifluoroethylamino)-8-[6-(trifluoromethoxy)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one
CID 156805183
8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-(methoxymethyl)-3-methylbenzimidazol-5-yl]pteridin-7-one
CID 167273113
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one
CID 155347806
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[2-[2-(2-hydroxyethylamino)ethyl]-3-methylbenzimidazol-5-yl]-1,8-naphthyridin-2-one
CID 166647868

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(difluoromethoxy)phenyl]-7-(ethylamino)-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one?
The IUPAC name of 4-amino-1-[4-(difluoromethoxy)phenyl]-7-(ethylamino)-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one (CID 177182306) is 4-amino-1-[4-(difluoromethoxy)phenyl]-7-(ethylamino)-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one.
What is the SMILES notation for 4-amino-1-[4-(difluoromethoxy)phenyl]-7-(ethylamino)-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one?
The canonical SMILES for 4-amino-1-[4-(difluoromethoxy)phenyl]-7-(ethylamino)-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one is CCNc1cnc2c(N)c(-c3ccc4ncn(C)c4c3)c(=O)n(-c3ccc(OC(F)F)cc3)c2c1.
What is the InChIKey of 4-amino-1-[4-(difluoromethoxy)phenyl]-7-(ethylamino)-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one?
The InChIKey is VMSNYZJLYZBDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N6O2/c1-3-29-15-11-20-23(30-12-15)22(28)21(14-4-9-18-19(10-14)32(2)13-31-18)24(34)33(20)16-5-7-17(8-6-16)35-25(26)27/h4-13,25,29H,3,28H2,1-2H3.
What are the key properties of 4-amino-1-[4-(difluoromethoxy)phenyl]-7-(ethylamino)-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one?
4-amino-1-[4-(difluoromethoxy)phenyl]-7-(ethylamino)-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one has a molecular weight of 476.49 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(difluoromethoxy)phenyl]-7-(ethylamino)-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one is sourced from PubChem (CID 177182306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).