4-(difluoromethoxy)-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]benzamide

C25H24F2N6O2 — CID 138588653

IUPAC4-(difluoromethoxy)-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]benzamide
SMILESCN1CCC(n2cc(-c3ccc4cnc(NC(=O)c5ccc(OC(F)F)cc5)cc4n3)cn2)CC1
InChIInChI=1S/C25H24F2N6O2/c1-32-10-8-19(9-11-32)33-15-18(14-29-33)21-7-4-17-13-28-23(12-22(17)30-21)31-24(34)16-2-5-20(6-3-16)35-25(26)27/h2-7,12-15,19,25H,8-11H2,1H3,(H,28,31,34)
InChIKeyYBYGIIVMECWERK-UHFFFAOYSA-N
MW478.50 g/mol
LogP4.61
Rot. Bonds6

About 4-(difluoromethoxy)-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]benzamide

4-(difluoromethoxy)-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]benzamide (PubChem CID 138588653) has the molecular formula C25H24F2N6O2 and a molecular weight of 478.50 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]benzamide
PubChem CID138588653
Molecular FormulaC25H24F2N6O2
Molecular Weight478.50 g/mol
Exact Mass478.19
IUPAC Name4-(difluoromethoxy)-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]benzamide
SMILESCN1CCC(n2cc(-c3ccc4cnc(NC(=O)c5ccc(OC(F)F)cc5)cc4n3)cn2)CC1
InChIInChI=1S/C25H24F2N6O2/c1-32-10-8-19(9-11-32)33-15-18(14-29-33)21-7-4-17-13-28-23(12-22(17)30-21)31-24(34)16-2-5-20(6-3-16)35-25(26)27/h2-7,12-15,19,25H,8-11H2,1H3,(H,28,31,34)
InChIKeyYBYGIIVMECWERK-UHFFFAOYSA-N
XLogP4.61
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.50
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]benzamide (CID 138588653) is 4-(difluoromethoxy)-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]benzamide is CN1CCC(n2cc(-c3ccc4cnc(NC(=O)c5ccc(OC(F)F)cc5)cc4n3)cn2)CC1.
What is the InChIKey of 4-(difluoromethoxy)-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]benzamide?
The InChIKey is YBYGIIVMECWERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N6O2/c1-32-10-8-19(9-11-32)33-15-18(14-29-33)21-7-4-17-13-28-23(12-22(17)30-21)31-24(34)16-2-5-20(6-3-16)35-25(26)27/h2-7,12-15,19,25H,8-11H2,1H3,(H,28,31,34).
What are the key properties of 4-(difluoromethoxy)-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]benzamide?
4-(difluoromethoxy)-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]benzamide has a molecular weight of 478.50 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]benzamide is sourced from PubChem (CID 138588653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).