5-methoxy-N-[[1-[3-(propanoylamino)propyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide

C21H31N5O3 — CID 71714701

IUPAC5-methoxy-N-[[1-[3-(propanoylamino)propyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
SMILESCCC(=O)NCCCN1CCC(CNC(=O)c2n[nH]c3ccc(OC)cc23)CC1
InChIInChI=1S/C21H31N5O3/c1-3-19(27)22-9-4-10-26-11-7-15(8-12-26)14-23-21(28)20-17-13-16(29-2)5-6-18(17)24-25-20/h5-6,13,15H,3-4,7-12,14H2,1-2H3,(H,22,27)(H,23,28)(H,24,25)
InChIKeyFBAFAVQZISHCJM-UHFFFAOYSA-N
MW401.51 g/mol
LogP1.93
Rot. Bonds9

About 5-methoxy-N-[[1-[3-(propanoylamino)propyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide

5-methoxy-N-[[1-[3-(propanoylamino)propyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide (PubChem CID 71714701) has the molecular formula C21H31N5O3 and a molecular weight of 401.51 g/mol. Its IUPAC name is 5-methoxy-N-[[1-[3-(propanoylamino)propyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[[1-[3-(propanoylamino)propyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
PubChem CID71714701
Molecular FormulaC21H31N5O3
Molecular Weight401.51 g/mol
Exact Mass401.24
IUPAC Name5-methoxy-N-[[1-[3-(propanoylamino)propyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
SMILESCCC(=O)NCCCN1CCC(CNC(=O)c2n[nH]c3ccc(OC)cc23)CC1
InChIInChI=1S/C21H31N5O3/c1-3-19(27)22-9-4-10-26-11-7-15(8-12-26)14-23-21(28)20-17-13-16(29-2)5-6-18(17)24-25-20/h5-6,13,15H,3-4,7-12,14H2,1-2H3,(H,22,27)(H,23,28)(H,24,25)
InChIKeyFBAFAVQZISHCJM-UHFFFAOYSA-N
XLogP1.93
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-methoxy-N-[[1-[3-(propanoylamino)propyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[[1-[3-(propanoylamino)propyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-methoxy-N-[[1-[3-(propanoylamino)propyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide (CID 71714701) is 5-methoxy-N-[[1-[3-(propanoylamino)propyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-methoxy-N-[[1-[3-(propanoylamino)propyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-methoxy-N-[[1-[3-(propanoylamino)propyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide is CCC(=O)NCCCN1CCC(CNC(=O)c2n[nH]c3ccc(OC)cc23)CC1.
What is the InChIKey of 5-methoxy-N-[[1-[3-(propanoylamino)propyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?
The InChIKey is FBAFAVQZISHCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O3/c1-3-19(27)22-9-4-10-26-11-7-15(8-12-26)14-23-21(28)20-17-13-16(29-2)5-6-18(17)24-25-20/h5-6,13,15H,3-4,7-12,14H2,1-2H3,(H,22,27)(H,23,28)(H,24,25).
What are the key properties of 5-methoxy-N-[[1-[3-(propanoylamino)propyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?
5-methoxy-N-[[1-[3-(propanoylamino)propyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 1.93, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[[1-[3-(propanoylamino)propyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 71714701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).