1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid

C24H25N5O2 — CID 135372113

IUPAC1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid
SMILESCN1CCC(Nc2cc(-c3ccc4c(c3)cc(C(=O)O)n4C)nc3ccncc23)CC1
InChIInChI=1S/C24H25N5O2/c1-28-9-6-17(7-10-28)26-21-13-20(27-19-5-8-25-14-18(19)21)15-3-4-22-16(11-15)12-23(24(30)31)29(22)2/h3-5,8,11-14,17H,6-7,9-10H2,1-2H3,(H,26,27)(H,30,31)
InChIKeyVJYSCGKDOSWMDV-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.99
Rot. Bonds4

About 1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid

1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid (PubChem CID 135372113) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid
PubChem CID135372113
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid
SMILESCN1CCC(Nc2cc(-c3ccc4c(c3)cc(C(=O)O)n4C)nc3ccncc23)CC1
InChIInChI=1S/C24H25N5O2/c1-28-9-6-17(7-10-28)26-21-13-20(27-19-5-8-25-14-18(19)21)15-3-4-22-16(11-15)12-23(24(30)31)29(22)2/h3-5,8,11-14,17H,6-7,9-10H2,1-2H3,(H,26,27)(H,30,31)
InChIKeyVJYSCGKDOSWMDV-UHFFFAOYSA-N
XLogP3.99
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid?
The IUPAC name of 1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid (CID 135372113) is 1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid.
What is the SMILES notation for 1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid?
The canonical SMILES for 1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid is CN1CCC(Nc2cc(-c3ccc4c(c3)cc(C(=O)O)n4C)nc3ccncc23)CC1.
What is the InChIKey of 1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid?
The InChIKey is VJYSCGKDOSWMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-28-9-6-17(7-10-28)26-21-13-20(27-19-5-8-25-14-18(19)21)15-3-4-22-16(11-15)12-23(24(30)31)29(22)2/h3-5,8,11-14,17H,6-7,9-10H2,1-2H3,(H,26,27)(H,30,31).
What are the key properties of 1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid?
1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid has a molecular weight of 415.50 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid is sourced from PubChem (CID 135372113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).