2-[1-(cyclopropylmethyl)-7-(1-fluoropropoxy)indol-2-yl]-7-(3-fluoropropyl)-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one;ethane

C30H37F2N5O2 — CID 170604327

IUPAC2-[1-(cyclopropylmethyl)-7-(1-fluoropropoxy)indol-2-yl]-7-(3-fluoropropyl)-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one;ethane
SMILESCC.CCC(F)Oc1cccc2cc(-c3nc4cc5c(nc4n3C)CCN(CCCF)C5=O)n(CC3CC3)c12
InChIInChI=1S/C28H31F2N5O2.C2H6/c1-3-24(30)37-23-7-4-6-18-14-22(35(25(18)23)16-17-8-9-17)27-32-21-15-19-20(31-26(21)33(27)2)10-13-34(28(19)36)12-5-11-29;1-2/h4,6-7,14-15,17,24H,3,5,8-13,16H2,1-2H3;1-2H3
InChIKeyRRSSAWGPBLZCLK-UHFFFAOYSA-N
MW537.66 g/mol
LogP6.47
Rot. Bonds9

About 2-[1-(cyclopropylmethyl)-7-(1-fluoropropoxy)indol-2-yl]-7-(3-fluoropropyl)-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one;ethane

2-[1-(cyclopropylmethyl)-7-(1-fluoropropoxy)indol-2-yl]-7-(3-fluoropropyl)-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one;ethane (PubChem CID 170604327) has the molecular formula C30H37F2N5O2 and a molecular weight of 537.66 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-7-(1-fluoropropoxy)indol-2-yl]-7-(3-fluoropropyl)-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one;ethane.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)-7-(1-fluoropropoxy)indol-2-yl]-7-(3-fluoropropyl)-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one;ethane
PubChem CID170604327
Molecular FormulaC30H37F2N5O2
Molecular Weight537.66 g/mol
Exact Mass537.29
IUPAC Name2-[1-(cyclopropylmethyl)-7-(1-fluoropropoxy)indol-2-yl]-7-(3-fluoropropyl)-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one;ethane
SMILESCC.CCC(F)Oc1cccc2cc(-c3nc4cc5c(nc4n3C)CCN(CCCF)C5=O)n(CC3CC3)c12
InChIInChI=1S/C28H31F2N5O2.C2H6/c1-3-24(30)37-23-7-4-6-18-14-22(35(25(18)23)16-17-8-9-17)27-32-21-15-19-20(31-26(21)33(27)2)10-13-34(28(19)36)12-5-11-29;1-2/h4,6-7,14-15,17,24H,3,5,8-13,16H2,1-2H3;1-2H3
InChIKeyRRSSAWGPBLZCLK-UHFFFAOYSA-N
XLogP6.47
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.66
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-(cyclopropylmethyl)-7-(1-fluoropropoxy)indol-2-yl]-7-(3-fluoropropyl)-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one;ethane with MolForge

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Related Compounds

2-[1-(cyclopropylmethyl)-7-(1-fluoro-2-imidazol-1-ylpropoxy)indol-2-yl]-7-(3-fluoropropyl)-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one;ethane
CID 170604331
ethyl 2-[1-(cyclopropylmethyl)-2-[7-[(2S)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-methyl-8-oxo-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-2-yl]indol-7-yl]oxy-2-fluoroacetate
CID 170338414
7-(2-amino-3-fluoropropyl)-2-[1-(cyclopropylmethyl)-7-[(5-oxopyrrolidin-3-yl)methoxy]indol-2-yl]-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one
CID 170338329
tert-butyl N-[(2S)-1-[2-[1-(cyclopropylmethyl)-7-(1-fluoro-2-imidazol-1-ylpropoxy)indol-2-yl]-3-methyl-8-oxo-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-7-yl]-3-fluoropropan-2-yl]carbamate
CID 170604390
tert-butyl N-[(2S)-1-[2-[1-(cyclopropylmethyl)-7-phenylmethoxyindol-2-yl]-3-methyl-8-oxo-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-7-yl]-3-fluoropropan-2-yl]carbamate
CID 170604283
tert-butyl N-[(2S)-1-[2-[1-(cyclopropylmethyl)-7-(2-fluoro-2-imidazol-1-ylethoxy)indol-2-yl]-3-methyl-8-oxo-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-7-yl]-3-fluoropropan-2-yl]carbamate
CID 170604433
2-[1-(cyclopropylmethyl)-2-[6-(3-fluoropropyl)-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]indol-7-yl]oxyethyl N-methylcarbamate
CID 170604115
[2-[1-(cyclopropylmethyl)-2-[7-[(2S)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-methyl-8-oxo-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-2-yl]indol-7-yl]oxy-1-(1,3-oxazol-5-yl)ethyl] acetate
CID 170338374
[(2S)-1-[2-[1-(cyclopropylmethyl)-7-[3-(4-fluoroimidazol-1-yl)propyl]indol-2-yl]-3-methyl-8-oxo-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-7-yl]-3-fluoropropan-2-yl]carbamic acid
CID 170338378
tert-butyl N-[(2R)-1-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-methyl-8-oxo-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-7-yl]propan-2-yl]carbamate
CID 170604353
2-[1-[(1-fluorocyclopropyl)methyl]-7-methoxyindol-2-yl]-3-methyl-7-[[(3S)-morpholin-3-yl]methyl]-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one
CID 170338433
tert-butyl N-[(2S)-1-[2-[1-(cyclopropylmethyl)-5-fluoro-7-hydroxyindol-2-yl]-3-methyl-8-oxo-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-7-yl]-3-fluoropropan-2-yl]carbamate
CID 170604372

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)-7-(1-fluoropropoxy)indol-2-yl]-7-(3-fluoropropyl)-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one;ethane?
The IUPAC name of 2-[1-(cyclopropylmethyl)-7-(1-fluoropropoxy)indol-2-yl]-7-(3-fluoropropyl)-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one;ethane (CID 170604327) is 2-[1-(cyclopropylmethyl)-7-(1-fluoropropoxy)indol-2-yl]-7-(3-fluoropropyl)-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one;ethane.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)-7-(1-fluoropropoxy)indol-2-yl]-7-(3-fluoropropyl)-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one;ethane?
The canonical SMILES for 2-[1-(cyclopropylmethyl)-7-(1-fluoropropoxy)indol-2-yl]-7-(3-fluoropropyl)-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one;ethane is CC.CCC(F)Oc1cccc2cc(-c3nc4cc5c(nc4n3C)CCN(CCCF)C5=O)n(CC3CC3)c12.
What is the InChIKey of 2-[1-(cyclopropylmethyl)-7-(1-fluoropropoxy)indol-2-yl]-7-(3-fluoropropyl)-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one;ethane?
The InChIKey is RRSSAWGPBLZCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F2N5O2.C2H6/c1-3-24(30)37-23-7-4-6-18-14-22(35(25(18)23)16-17-8-9-17)27-32-21-15-19-20(31-26(21)33(27)2)10-13-34(28(19)36)12-5-11-29;1-2/h4,6-7,14-15,17,24H,3,5,8-13,16H2,1-2H3;1-2H3.
What are the key properties of 2-[1-(cyclopropylmethyl)-7-(1-fluoropropoxy)indol-2-yl]-7-(3-fluoropropyl)-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one;ethane?
2-[1-(cyclopropylmethyl)-7-(1-fluoropropoxy)indol-2-yl]-7-(3-fluoropropyl)-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one;ethane has a molecular weight of 537.66 g/mol, XLogP of 6.47, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)-7-(1-fluoropropoxy)indol-2-yl]-7-(3-fluoropropyl)-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one;ethane is sourced from PubChem (CID 170604327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).