1-methyl-5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid

C26H29N5O2 — CID 135372005

IUPAC1-methyl-5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid
SMILESCn1c(C(=O)O)cc2cc(-c3cc(NCCCN4CCCCC4)c4cnccc4n3)ccc21
InChIInChI=1S/C26H29N5O2/c1-30-24-7-6-18(14-19(24)15-25(30)26(32)33)22-16-23(20-17-27-10-8-21(20)29-22)28-9-5-13-31-11-3-2-4-12-31/h6-8,10,14-17H,2-5,9,11-13H2,1H3,(H,28,29)(H,32,33)
InChIKeyQCARUPWEOQQWBT-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.77
Rot. Bonds7

About 1-methyl-5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid

1-methyl-5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid (PubChem CID 135372005) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 1-methyl-5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid
PubChem CID135372005
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name1-methyl-5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid
SMILESCn1c(C(=O)O)cc2cc(-c3cc(NCCCN4CCCCC4)c4cnccc4n3)ccc21
InChIInChI=1S/C26H29N5O2/c1-30-24-7-6-18(14-19(24)15-25(30)26(32)33)22-16-23(20-17-27-10-8-21(20)29-22)28-9-5-13-31-11-3-2-4-12-31/h6-8,10,14-17H,2-5,9,11-13H2,1H3,(H,28,29)(H,32,33)
InChIKeyQCARUPWEOQQWBT-UHFFFAOYSA-N
XLogP4.77
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid?
The IUPAC name of 1-methyl-5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid (CID 135372005) is 1-methyl-5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid.
What is the SMILES notation for 1-methyl-5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid?
The canonical SMILES for 1-methyl-5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid is Cn1c(C(=O)O)cc2cc(-c3cc(NCCCN4CCCCC4)c4cnccc4n3)ccc21.
What is the InChIKey of 1-methyl-5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid?
The InChIKey is QCARUPWEOQQWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-30-24-7-6-18(14-19(24)15-25(30)26(32)33)22-16-23(20-17-27-10-8-21(20)29-22)28-9-5-13-31-11-3-2-4-12-31/h6-8,10,14-17H,2-5,9,11-13H2,1H3,(H,28,29)(H,32,33).
What are the key properties of 1-methyl-5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid?
1-methyl-5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid has a molecular weight of 443.55 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid is sourced from PubChem (CID 135372005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).