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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Related Compounds

Vuf8504
CID 10247610
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CID 44454940
2,6-difluoro-N-[3-[3-[2-(3-methoxyanilino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
CID 44528925
N-(2-{[(4-Ethoxyphenyl)carbonyl]amino}ethyl)-1-pyridin-2-yl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
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CID 56596178
[4-[7-(4-Methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 139466511
[4-[7-(3-Hydroxy-3-methylpyrrolidin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 139473441
[4-[7-[3-(Dimethylamino)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 139473517
(3S)-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]pyridin-4-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 141488410
N-[(S)-[4-(difluoromethoxy)phenyl]-(1-methylpyrazol-4-yl)methyl]-2-(oxan-4-ylamino)quinazoline-7-carboxamide
CID 117975094
4-(1-methylpiperidin-4-yl)oxy-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]benzamide
CID 132056693
4-methoxy-N-{1-[1-(4-pyridinylmethyl)-4-piperidinyl]-1H-pyrazol-5-yl}benzamide
CID 24817226

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).