N-methyl-4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxamide

C21H24N8O2 — CID 58379647

IUPACN-methyl-4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnn(C)c5)nc4c32)CC1
InChIInChI=1S/C21H24N8O2/c1-22-20(30)28-8-6-14(7-9-28)29-19-17(27(3)21(29)31)11-23-16-5-4-15(25-18(16)19)13-10-24-26(2)12-13/h4-5,10-12,14H,6-9H2,1-3H3,(H,22,30)
InChIKeyAHYFVHIIOMCATP-UHFFFAOYSA-N
MW420.48 g/mol
LogP1.66
Rot. Bonds2

About N-methyl-4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxamide

N-methyl-4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxamide (PubChem CID 58379647) has the molecular formula C21H24N8O2 and a molecular weight of 420.48 g/mol. Its IUPAC name is N-methyl-4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxamide
PubChem CID58379647
Molecular FormulaC21H24N8O2
Molecular Weight420.48 g/mol
Exact Mass420.20
IUPAC NameN-methyl-4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnn(C)c5)nc4c32)CC1
InChIInChI=1S/C21H24N8O2/c1-22-20(30)28-8-6-14(7-9-28)29-19-17(27(3)21(29)31)11-23-16-5-4-15(25-18(16)19)13-10-24-26(2)12-13/h4-5,10-12,14H,6-9H2,1-3H3,(H,22,30)
InChIKeyAHYFVHIIOMCATP-UHFFFAOYSA-N
XLogP1.66
TPSA102.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxamide?
The IUPAC name of 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) is N-methyl-4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-methyl-4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-methyl-4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxamide is CNC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnn(C)c5)nc4c32)CC1.
What is the InChIKey of N-methyl-4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxamide?
The InChIKey is AHYFVHIIOMCATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O2/c1-22-20(30)28-8-6-14(7-9-28)29-19-17(27(3)21(29)31)11-23-16-5-4-15(25-18(16)19)13-10-24-26(2)12-13/h4-5,10-12,14H,6-9H2,1-3H3,(H,22,30).
What are the key properties of N-methyl-4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxamide?
N-methyl-4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxamide has a molecular weight of 420.48 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 58379647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).