cyclopropyl-[4-[8-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]methanone

C26H25F3N6O2 — CID 66807489

IUPACcyclopropyl-[4-[8-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]methanone
SMILESCOc1ncc(-c2ccc3ncc4nc(C)n(C5CCN(C(=O)C6CC6)CC5)c4c3n2)cc1C(F)(F)F
InChIInChI=1S/C26H25F3N6O2/c1-14-32-21-13-30-20-6-5-19(16-11-18(26(27,28)29)24(37-2)31-12-16)33-22(20)23(21)35(14)17-7-9-34(10-8-17)25(36)15-3-4-15/h5-6,11-13,15,17H,3-4,7-10H2,1-2H3
InChIKeyJYSAAPGXHPTVCS-UHFFFAOYSA-N
MW510.52 g/mol
LogP4.95
Rot. Bonds4

About cyclopropyl-[4-[8-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]methanone

cyclopropyl-[4-[8-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]methanone (PubChem CID 66807489) has the molecular formula C26H25F3N6O2 and a molecular weight of 510.52 g/mol. Its IUPAC name is cyclopropyl-[4-[8-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[8-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]methanone
PubChem CID66807489
Molecular FormulaC26H25F3N6O2
Molecular Weight510.52 g/mol
Exact Mass510.20
IUPAC Namecyclopropyl-[4-[8-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]methanone
SMILESCOc1ncc(-c2ccc3ncc4nc(C)n(C5CCN(C(=O)C6CC6)CC5)c4c3n2)cc1C(F)(F)F
InChIInChI=1S/C26H25F3N6O2/c1-14-32-21-13-30-20-6-5-19(16-11-18(26(27,28)29)24(37-2)31-12-16)33-22(20)23(21)35(14)17-7-9-34(10-8-17)25(36)15-3-4-15/h5-6,11-13,15,17H,3-4,7-10H2,1-2H3
InChIKeyJYSAAPGXHPTVCS-UHFFFAOYSA-N
XLogP4.95
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.52
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[8-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[8-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]methanone (CID 66807489) is cyclopropyl-[4-[8-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[8-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[8-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]methanone is COc1ncc(-c2ccc3ncc4nc(C)n(C5CCN(C(=O)C6CC6)CC5)c4c3n2)cc1C(F)(F)F.
What is the InChIKey of cyclopropyl-[4-[8-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]methanone?
The InChIKey is JYSAAPGXHPTVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N6O2/c1-14-32-21-13-30-20-6-5-19(16-11-18(26(27,28)29)24(37-2)31-12-16)33-22(20)23(21)35(14)17-7-9-34(10-8-17)25(36)15-3-4-15/h5-6,11-13,15,17H,3-4,7-10H2,1-2H3.
What are the key properties of cyclopropyl-[4-[8-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]methanone?
cyclopropyl-[4-[8-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]methanone has a molecular weight of 510.52 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[8-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 66807489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).