tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-2-one

C54H57N15O4 — CID 157201948

IUPACtert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCn1cc(-c2ccc(-c3ccc4ncc5c(c4n3)n(C3CCCCC3)c(=O)n5C)cn2)cn1.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4n3)n(C3CCCN(C(=O)OC(C)(C)C)C3)c(=O)n5C)cn2)cn1
InChIInChI=1S/C29H32N8O3.C25H25N7O/c1-29(2,3)40-28(39)36-12-6-7-20(17-36)37-26-24(35(5)27(37)38)15-31-23-11-10-22(33-25(23)26)18-8-9-21(30-13-18)19-14-32-34(4)16-19;1-30-15-17(13-28-30)19-9-8-16(12-26-19)20-10-11-21-23(29-20)24-22(14-27-21)31(2)25(33)32(24)18-6-4-3-5-7-18/h8-11,13-16,20H,6-7,12,17H2,1-5H3;8-15,18H,3-7H2,1-2H3
InChIKeyAQWZEVHKKXVJPV-UHFFFAOYSA-N
MW980.15 g/mol
LogP8.57
Rot. Bonds6

About tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-2-one

tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 157201948) has the molecular formula C54H57N15O4 and a molecular weight of 980.15 g/mol. Its IUPAC name is tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Nametert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID157201948
Molecular FormulaC54H57N15O4
Molecular Weight980.15 g/mol
Exact Mass979.47
IUPAC Nametert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCn1cc(-c2ccc(-c3ccc4ncc5c(c4n3)n(C3CCCCC3)c(=O)n5C)cn2)cn1.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4n3)n(C3CCCN(C(=O)OC(C)(C)C)C3)c(=O)n5C)cn2)cn1
InChIInChI=1S/C29H32N8O3.C25H25N7O/c1-29(2,3)40-28(39)36-12-6-7-20(17-36)37-26-24(35(5)27(37)38)15-31-23-11-10-22(33-25(23)26)18-8-9-21(30-13-18)19-14-32-34(4)16-19;1-30-15-17(13-28-30)19-9-8-16(12-26-19)20-10-11-21-23(29-20)24-22(14-27-21)31(2)25(33)32(24)18-6-4-3-5-7-18/h8-11,13-16,20H,6-7,12,17H2,1-5H3;8-15,18H,3-7H2,1-2H3
InChIKeyAQWZEVHKKXVJPV-UHFFFAOYSA-N
XLogP8.57
TPSA196.38 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds6
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500980.15
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-2-one with MolForge

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Related Compounds

2-[4-[3-Methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide
CID 58379504
1-(1-Acetylpiperidin-4-yl)-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379565
Ethyl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate
CID 58379596
Propan-2-yl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate
CID 58379597
1-(1-Acetylpiperidin-4-yl)-3-methyl-8-(3-pyrazol-1-ylphenyl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379611
3-Methyl-8-(1-methylpyrazol-4-yl)-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379640
N-methyl-4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxamide
CID 58379647
3-Methyl-1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379649
(S)-3-methyl-8-(6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)-1-(1-(methanesulfonyl)pyrrolidin-3-yl)-1H-imidazol-[4,5-c][1,5]naphthyridin-2(3H)-one
CID 118101711
3-methyl-8-(6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)-1-(1-(methanesulfonyl)piperidin-3-yl)-1H-imidazo[4,5-c][1,5]naphthyridin-2(3H)-one
CID 118101810
US10023570, Example 170
CID 124199522
Tert-butyl 5-[5-(dimethylamino)-3-pyridinyl]-3-[4-(3-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]pyrazolo[3,4-c]pyridine-1-carboxylate
CID 135287101

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-2-one (CID 157201948) is tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-2-one is Cn1cc(-c2ccc(-c3ccc4ncc5c(c4n3)n(C3CCCCC3)c(=O)n5C)cn2)cn1.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4n3)n(C3CCCN(C(=O)OC(C)(C)C)C3)c(=O)n5C)cn2)cn1.
What is the InChIKey of tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is AQWZEVHKKXVJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N8O3.C25H25N7O/c1-29(2,3)40-28(39)36-12-6-7-20(17-36)37-26-24(35(5)27(37)38)15-31-23-11-10-22(33-25(23)26)18-8-9-21(30-13-18)19-14-32-34(4)16-19;1-30-15-17(13-28-30)19-9-8-16(12-26-19)20-10-11-21-23(29-20)24-22(14-27-21)31(2)25(33)32(24)18-6-4-3-5-7-18/h8-11,13-16,20H,6-7,12,17H2,1-5H3;8-15,18H,3-7H2,1-2H3.
What are the key properties of tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-2-one?
tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 980.15 g/mol, XLogP of 8.57, 6 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 157201948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).