3-[3-(3-piperidin-1-ylpropanoylamino)phenyl]-1H-indazole-5-carboxamide

C22H25N5O2 — CID 10430551

IUPAC3-[3-(3-piperidin-1-ylpropanoylamino)phenyl]-1H-indazole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)CCN4CCCCC4)c3)c2c1
InChIInChI=1S/C22H25N5O2/c23-22(29)16-7-8-19-18(14-16)21(26-25-19)15-5-4-6-17(13-15)24-20(28)9-12-27-10-2-1-3-11-27/h4-8,13-14H,1-3,9-12H2,(H2,23,29)(H,24,28)(H,25,26)
InChIKeyQPTBSOIBEFBRGY-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.14
Rot. Bonds6

About 3-[3-(3-piperidin-1-ylpropanoylamino)phenyl]-1H-indazole-5-carboxamide

3-[3-(3-piperidin-1-ylpropanoylamino)phenyl]-1H-indazole-5-carboxamide (PubChem CID 10430551) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 3-[3-(3-piperidin-1-ylpropanoylamino)phenyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[3-(3-piperidin-1-ylpropanoylamino)phenyl]-1H-indazole-5-carboxamide
PubChem CID10430551
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name3-[3-(3-piperidin-1-ylpropanoylamino)phenyl]-1H-indazole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)CCN4CCCCC4)c3)c2c1
InChIInChI=1S/C22H25N5O2/c23-22(29)16-7-8-19-18(14-16)21(26-25-19)15-5-4-6-17(13-15)24-20(28)9-12-27-10-2-1-3-11-27/h4-8,13-14H,1-3,9-12H2,(H2,23,29)(H,24,28)(H,25,26)
InChIKeyQPTBSOIBEFBRGY-UHFFFAOYSA-N
XLogP3.14
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-piperidin-1-ylpropanoylamino)phenyl]-1H-indazole-5-carboxamide?
The IUPAC name of 3-[3-(3-piperidin-1-ylpropanoylamino)phenyl]-1H-indazole-5-carboxamide (CID 10430551) is 3-[3-(3-piperidin-1-ylpropanoylamino)phenyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[3-(3-piperidin-1-ylpropanoylamino)phenyl]-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[3-(3-piperidin-1-ylpropanoylamino)phenyl]-1H-indazole-5-carboxamide is NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)CCN4CCCCC4)c3)c2c1.
What is the InChIKey of 3-[3-(3-piperidin-1-ylpropanoylamino)phenyl]-1H-indazole-5-carboxamide?
The InChIKey is QPTBSOIBEFBRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c23-22(29)16-7-8-19-18(14-16)21(26-25-19)15-5-4-6-17(13-15)24-20(28)9-12-27-10-2-1-3-11-27/h4-8,13-14H,1-3,9-12H2,(H2,23,29)(H,24,28)(H,25,26).
What are the key properties of 3-[3-(3-piperidin-1-ylpropanoylamino)phenyl]-1H-indazole-5-carboxamide?
3-[3-(3-piperidin-1-ylpropanoylamino)phenyl]-1H-indazole-5-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-piperidin-1-ylpropanoylamino)phenyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 10430551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).