N-(1-ethyl-4-phenylpiperidin-3-yl)-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide

C30H34N4O2 — CID 123236977

IUPACN-(1-ethyl-4-phenylpiperidin-3-yl)-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide
SMILESCCN1CCC(c2ccccc2)C(NC(=O)c2ccc3[nH]nc(-c4ccc(OC(C)C)cc4)c3c2)C1
InChIInChI=1S/C30H34N4O2/c1-4-34-17-16-25(21-8-6-5-7-9-21)28(19-34)31-30(35)23-12-15-27-26(18-23)29(33-32-27)22-10-13-24(14-11-22)36-20(2)3/h5-15,18,20,25,28H,4,16-17,19H2,1-3H3,(H,31,35)(H,32,33)
InChIKeyVWHNCUHKOBNLGO-UHFFFAOYSA-N
MW482.63 g/mol
LogP5.62
Rot. Bonds7

About N-(1-ethyl-4-phenylpiperidin-3-yl)-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide

N-(1-ethyl-4-phenylpiperidin-3-yl)-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide (PubChem CID 123236977) has the molecular formula C30H34N4O2 and a molecular weight of 482.63 g/mol. Its IUPAC name is N-(1-ethyl-4-phenylpiperidin-3-yl)-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-4-phenylpiperidin-3-yl)-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide
PubChem CID123236977
Molecular FormulaC30H34N4O2
Molecular Weight482.63 g/mol
Exact Mass482.27
IUPAC NameN-(1-ethyl-4-phenylpiperidin-3-yl)-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide
SMILESCCN1CCC(c2ccccc2)C(NC(=O)c2ccc3[nH]nc(-c4ccc(OC(C)C)cc4)c3c2)C1
InChIInChI=1S/C30H34N4O2/c1-4-34-17-16-25(21-8-6-5-7-9-21)28(19-34)31-30(35)23-12-15-27-26(18-23)29(33-32-27)22-10-13-24(14-11-22)36-20(2)3/h5-15,18,20,25,28H,4,16-17,19H2,1-3H3,(H,31,35)(H,32,33)
InChIKeyVWHNCUHKOBNLGO-UHFFFAOYSA-N
XLogP5.62
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-ethyl-4-phenylpiperidin-3-yl)-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-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 N-(1-ethyl-4-phenylpiperidin-3-yl)-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-(1-ethyl-4-phenylpiperidin-3-yl)-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide (CID 123236977) is N-(1-ethyl-4-phenylpiperidin-3-yl)-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-(1-ethyl-4-phenylpiperidin-3-yl)-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-(1-ethyl-4-phenylpiperidin-3-yl)-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide is CCN1CCC(c2ccccc2)C(NC(=O)c2ccc3[nH]nc(-c4ccc(OC(C)C)cc4)c3c2)C1.
What is the InChIKey of N-(1-ethyl-4-phenylpiperidin-3-yl)-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide?
The InChIKey is VWHNCUHKOBNLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O2/c1-4-34-17-16-25(21-8-6-5-7-9-21)28(19-34)31-30(35)23-12-15-27-26(18-23)29(33-32-27)22-10-13-24(14-11-22)36-20(2)3/h5-15,18,20,25,28H,4,16-17,19H2,1-3H3,(H,31,35)(H,32,33).
What are the key properties of N-(1-ethyl-4-phenylpiperidin-3-yl)-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide?
N-(1-ethyl-4-phenylpiperidin-3-yl)-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide has a molecular weight of 482.63 g/mol, XLogP of 5.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-4-phenylpiperidin-3-yl)-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 123236977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).