8-[4-[1-[1-(methoxymethyl)cyclopropanecarbonyl]piperidin-4-yl]-3-methylanilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one

C31H34N6O4 — CID 58166700

IUPAC8-[4-[1-[1-(methoxymethyl)cyclopropanecarbonyl]piperidin-4-yl]-3-methylanilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one
SMILESCOCC1(C(=O)N2CCC(c3ccc(Nc4nc(-c5cncc(OC)n5)cc5cc[nH]c(=O)c45)cc3C)CC2)CC1
InChIInChI=1S/C31H34N6O4/c1-19-14-22(4-5-23(19)20-7-12-37(13-8-20)30(39)31(9-10-31)18-40-2)34-28-27-21(6-11-33-29(27)38)15-24(36-28)25-16-32-17-26(35-25)41-3/h4-6,11,14-17,20H,7-10,12-13,18H2,1-3H3,(H,33,38)(H,34,36)
InChIKeyPMKNUXQQPXQPTK-UHFFFAOYSA-N
MW554.65 g/mol
LogP4.57
Rot. Bonds8

About 8-[4-[1-[1-(methoxymethyl)cyclopropanecarbonyl]piperidin-4-yl]-3-methylanilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one

8-[4-[1-[1-(methoxymethyl)cyclopropanecarbonyl]piperidin-4-yl]-3-methylanilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one (PubChem CID 58166700) has the molecular formula C31H34N6O4 and a molecular weight of 554.65 g/mol. Its IUPAC name is 8-[4-[1-[1-(methoxymethyl)cyclopropanecarbonyl]piperidin-4-yl]-3-methylanilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-[4-[1-[1-(methoxymethyl)cyclopropanecarbonyl]piperidin-4-yl]-3-methylanilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one
PubChem CID58166700
Molecular FormulaC31H34N6O4
Molecular Weight554.65 g/mol
Exact Mass554.26
IUPAC Name8-[4-[1-[1-(methoxymethyl)cyclopropanecarbonyl]piperidin-4-yl]-3-methylanilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one
SMILESCOCC1(C(=O)N2CCC(c3ccc(Nc4nc(-c5cncc(OC)n5)cc5cc[nH]c(=O)c45)cc3C)CC2)CC1
InChIInChI=1S/C31H34N6O4/c1-19-14-22(4-5-23(19)20-7-12-37(13-8-20)30(39)31(9-10-31)18-40-2)34-28-27-21(6-11-33-29(27)38)15-24(36-28)25-16-32-17-26(35-25)41-3/h4-6,11,14-17,20H,7-10,12-13,18H2,1-3H3,(H,33,38)(H,34,36)
InChIKeyPMKNUXQQPXQPTK-UHFFFAOYSA-N
XLogP4.57
TPSA122.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.65
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-[4-[1-[1-(methoxymethyl)cyclopropanecarbonyl]piperidin-4-yl]-3-methylanilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[1-[1-(methoxymethyl)cyclopropanecarbonyl]piperidin-4-yl]-3-methylanilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 8-[4-[1-[1-(methoxymethyl)cyclopropanecarbonyl]piperidin-4-yl]-3-methylanilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one (CID 58166700) is 8-[4-[1-[1-(methoxymethyl)cyclopropanecarbonyl]piperidin-4-yl]-3-methylanilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-[4-[1-[1-(methoxymethyl)cyclopropanecarbonyl]piperidin-4-yl]-3-methylanilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 8-[4-[1-[1-(methoxymethyl)cyclopropanecarbonyl]piperidin-4-yl]-3-methylanilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one is COCC1(C(=O)N2CCC(c3ccc(Nc4nc(-c5cncc(OC)n5)cc5cc[nH]c(=O)c45)cc3C)CC2)CC1.
What is the InChIKey of 8-[4-[1-[1-(methoxymethyl)cyclopropanecarbonyl]piperidin-4-yl]-3-methylanilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one?
The InChIKey is PMKNUXQQPXQPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N6O4/c1-19-14-22(4-5-23(19)20-7-12-37(13-8-20)30(39)31(9-10-31)18-40-2)34-28-27-21(6-11-33-29(27)38)15-24(36-28)25-16-32-17-26(35-25)41-3/h4-6,11,14-17,20H,7-10,12-13,18H2,1-3H3,(H,33,38)(H,34,36).
What are the key properties of 8-[4-[1-[1-(methoxymethyl)cyclopropanecarbonyl]piperidin-4-yl]-3-methylanilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one?
8-[4-[1-[1-(methoxymethyl)cyclopropanecarbonyl]piperidin-4-yl]-3-methylanilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one has a molecular weight of 554.65 g/mol, XLogP of 4.57, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[1-[1-(methoxymethyl)cyclopropanecarbonyl]piperidin-4-yl]-3-methylanilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58166700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).