6-(1-cyclopropyl-4-fluoro-2-methylindol-5-yl)-2-(cyclopropylmethoxy)-8-(4-fluoropiperidine-1-carbonyl)-1,6-naphthyridin-5-one

C30H30F2N4O3 — CID 176774311

IUPAC6-(1-cyclopropyl-4-fluoro-2-methylindol-5-yl)-2-(cyclopropylmethoxy)-8-(4-fluoropiperidine-1-carbonyl)-1,6-naphthyridin-5-one
SMILESCc1cc2c(F)c(-n3cc(C(=O)N4CCC(F)CC4)c4nc(OCC5CC5)ccc4c3=O)ccc2n1C1CC1
InChIInChI=1S/C30H30F2N4O3/c1-17-14-22-24(36(17)20-4-5-20)7-8-25(27(22)32)35-15-23(29(37)34-12-10-19(31)11-13-34)28-21(30(35)38)6-9-26(33-28)39-16-18-2-3-18/h6-9,14-15,18-20H,2-5,10-13,16H2,1H3
InChIKeyWPGFBDLUNZVOEE-UHFFFAOYSA-N
MW532.59 g/mol
LogP5.49
Rot. Bonds6

About 6-(1-cyclopropyl-4-fluoro-2-methylindol-5-yl)-2-(cyclopropylmethoxy)-8-(4-fluoropiperidine-1-carbonyl)-1,6-naphthyridin-5-one

6-(1-cyclopropyl-4-fluoro-2-methylindol-5-yl)-2-(cyclopropylmethoxy)-8-(4-fluoropiperidine-1-carbonyl)-1,6-naphthyridin-5-one (PubChem CID 176774311) has the molecular formula C30H30F2N4O3 and a molecular weight of 532.59 g/mol. Its IUPAC name is 6-(1-cyclopropyl-4-fluoro-2-methylindol-5-yl)-2-(cyclopropylmethoxy)-8-(4-fluoropiperidine-1-carbonyl)-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-(1-cyclopropyl-4-fluoro-2-methylindol-5-yl)-2-(cyclopropylmethoxy)-8-(4-fluoropiperidine-1-carbonyl)-1,6-naphthyridin-5-one
PubChem CID176774311
Molecular FormulaC30H30F2N4O3
Molecular Weight532.59 g/mol
Exact Mass532.23
IUPAC Name6-(1-cyclopropyl-4-fluoro-2-methylindol-5-yl)-2-(cyclopropylmethoxy)-8-(4-fluoropiperidine-1-carbonyl)-1,6-naphthyridin-5-one
SMILESCc1cc2c(F)c(-n3cc(C(=O)N4CCC(F)CC4)c4nc(OCC5CC5)ccc4c3=O)ccc2n1C1CC1
InChIInChI=1S/C30H30F2N4O3/c1-17-14-22-24(36(17)20-4-5-20)7-8-25(27(22)32)35-15-23(29(37)34-12-10-19(31)11-13-34)28-21(30(35)38)6-9-26(33-28)39-16-18-2-3-18/h6-9,14-15,18-20H,2-5,10-13,16H2,1H3
InChIKeyWPGFBDLUNZVOEE-UHFFFAOYSA-N
XLogP5.49
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.59
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluoro-1,2-dimethylindol-5-yl)-7-(fluoromethoxy)-4-(4-fluoropiperidine-1-carbonyl)isoquinolin-1-one
CID 175938839
6-[4-fluoro-2-methyl-1-(trideuteriomethyl)indol-5-yl]-8-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,6-naphthyridin-5-one
CID 175938880
6-[4-fluoro-1-(2-hydroxyethyl)-2-methylindol-5-yl]-8-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,6-naphthyridin-5-one
CID 175938936
7-[4-fluoro-2-methyl-1-(trideuteriomethyl)indol-5-yl]-5-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,7-naphthyridin-8-one
CID 175938795
6-(4-fluoro-2-methyl-1H-indol-5-yl)-8-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,6-naphthyridin-5-one
CID 175938799
(8-chloro-2-methylquinolin-4-yl)-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methanone
CID 46964935
(2,5-dimethylfuran-3-yl)-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]methanone
CID 154581448
5-[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 154576321
[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 154576307
[2-fluoro-4-[6-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]pyridazin-3-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 134420693
(3,3-difluorocyclobutyl)-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]methanone
CID 163358243
1-[2-fluoro-4-[6-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-3-pyridinyl]benzoyl]piperidine-4-carboxamide
CID 90017366

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropyl-4-fluoro-2-methylindol-5-yl)-2-(cyclopropylmethoxy)-8-(4-fluoropiperidine-1-carbonyl)-1,6-naphthyridin-5-one?
The IUPAC name of 6-(1-cyclopropyl-4-fluoro-2-methylindol-5-yl)-2-(cyclopropylmethoxy)-8-(4-fluoropiperidine-1-carbonyl)-1,6-naphthyridin-5-one (CID 176774311) is 6-(1-cyclopropyl-4-fluoro-2-methylindol-5-yl)-2-(cyclopropylmethoxy)-8-(4-fluoropiperidine-1-carbonyl)-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-(1-cyclopropyl-4-fluoro-2-methylindol-5-yl)-2-(cyclopropylmethoxy)-8-(4-fluoropiperidine-1-carbonyl)-1,6-naphthyridin-5-one?
The canonical SMILES for 6-(1-cyclopropyl-4-fluoro-2-methylindol-5-yl)-2-(cyclopropylmethoxy)-8-(4-fluoropiperidine-1-carbonyl)-1,6-naphthyridin-5-one is Cc1cc2c(F)c(-n3cc(C(=O)N4CCC(F)CC4)c4nc(OCC5CC5)ccc4c3=O)ccc2n1C1CC1.
What is the InChIKey of 6-(1-cyclopropyl-4-fluoro-2-methylindol-5-yl)-2-(cyclopropylmethoxy)-8-(4-fluoropiperidine-1-carbonyl)-1,6-naphthyridin-5-one?
The InChIKey is WPGFBDLUNZVOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F2N4O3/c1-17-14-22-24(36(17)20-4-5-20)7-8-25(27(22)32)35-15-23(29(37)34-12-10-19(31)11-13-34)28-21(30(35)38)6-9-26(33-28)39-16-18-2-3-18/h6-9,14-15,18-20H,2-5,10-13,16H2,1H3.
What are the key properties of 6-(1-cyclopropyl-4-fluoro-2-methylindol-5-yl)-2-(cyclopropylmethoxy)-8-(4-fluoropiperidine-1-carbonyl)-1,6-naphthyridin-5-one?
6-(1-cyclopropyl-4-fluoro-2-methylindol-5-yl)-2-(cyclopropylmethoxy)-8-(4-fluoropiperidine-1-carbonyl)-1,6-naphthyridin-5-one has a molecular weight of 532.59 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopropyl-4-fluoro-2-methylindol-5-yl)-2-(cyclopropylmethoxy)-8-(4-fluoropiperidine-1-carbonyl)-1,6-naphthyridin-5-one is sourced from PubChem (CID 176774311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).