6-hydroxy-N-methyl-N-(4-morpholin-4-ylphenyl)-3-(piperidine-1-carbonyl)-1H-indazole-5-carboxamide

C25H29N5O4 — CID 135567214

IUPAC6-hydroxy-N-methyl-N-(4-morpholin-4-ylphenyl)-3-(piperidine-1-carbonyl)-1H-indazole-5-carboxamide
SMILESCN(C(=O)c1cc2c(C(=O)N3CCCCC3)n[nH]c2cc1O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C25H29N5O4/c1-28(17-5-7-18(8-6-17)29-11-13-34-14-12-29)24(32)20-15-19-21(16-22(20)31)26-27-23(19)25(33)30-9-3-2-4-10-30/h5-8,15-16,31H,2-4,9-14H2,1H3,(H,26,27)
InChIKeyXZAKFVDWQZYSCF-UHFFFAOYSA-N
MW463.54 g/mol
LogP3.01
Rot. Bonds4

About 6-hydroxy-N-methyl-N-(4-morpholin-4-ylphenyl)-3-(piperidine-1-carbonyl)-1H-indazole-5-carboxamide

6-hydroxy-N-methyl-N-(4-morpholin-4-ylphenyl)-3-(piperidine-1-carbonyl)-1H-indazole-5-carboxamide (PubChem CID 135567214) has the molecular formula C25H29N5O4 and a molecular weight of 463.54 g/mol. Its IUPAC name is 6-hydroxy-N-methyl-N-(4-morpholin-4-ylphenyl)-3-(piperidine-1-carbonyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name6-hydroxy-N-methyl-N-(4-morpholin-4-ylphenyl)-3-(piperidine-1-carbonyl)-1H-indazole-5-carboxamide
PubChem CID135567214
Molecular FormulaC25H29N5O4
Molecular Weight463.54 g/mol
Exact Mass463.22
IUPAC Name6-hydroxy-N-methyl-N-(4-morpholin-4-ylphenyl)-3-(piperidine-1-carbonyl)-1H-indazole-5-carboxamide
SMILESCN(C(=O)c1cc2c(C(=O)N3CCCCC3)n[nH]c2cc1O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C25H29N5O4/c1-28(17-5-7-18(8-6-17)29-11-13-34-14-12-29)24(32)20-15-19-21(16-22(20)31)26-27-23(19)25(33)30-9-3-2-4-10-30/h5-8,15-16,31H,2-4,9-14H2,1H3,(H,26,27)
InChIKeyXZAKFVDWQZYSCF-UHFFFAOYSA-N
XLogP3.01
TPSA102.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-N-methyl-N-(4-morpholin-4-ylphenyl)-3-(piperidine-1-carbonyl)-1H-indazole-5-carboxamide?
The IUPAC name of 6-hydroxy-N-methyl-N-(4-morpholin-4-ylphenyl)-3-(piperidine-1-carbonyl)-1H-indazole-5-carboxamide (CID 135567214) is 6-hydroxy-N-methyl-N-(4-morpholin-4-ylphenyl)-3-(piperidine-1-carbonyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 6-hydroxy-N-methyl-N-(4-morpholin-4-ylphenyl)-3-(piperidine-1-carbonyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 6-hydroxy-N-methyl-N-(4-morpholin-4-ylphenyl)-3-(piperidine-1-carbonyl)-1H-indazole-5-carboxamide is CN(C(=O)c1cc2c(C(=O)N3CCCCC3)n[nH]c2cc1O)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 6-hydroxy-N-methyl-N-(4-morpholin-4-ylphenyl)-3-(piperidine-1-carbonyl)-1H-indazole-5-carboxamide?
The InChIKey is XZAKFVDWQZYSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4/c1-28(17-5-7-18(8-6-17)29-11-13-34-14-12-29)24(32)20-15-19-21(16-22(20)31)26-27-23(19)25(33)30-9-3-2-4-10-30/h5-8,15-16,31H,2-4,9-14H2,1H3,(H,26,27).
What are the key properties of 6-hydroxy-N-methyl-N-(4-morpholin-4-ylphenyl)-3-(piperidine-1-carbonyl)-1H-indazole-5-carboxamide?
6-hydroxy-N-methyl-N-(4-morpholin-4-ylphenyl)-3-(piperidine-1-carbonyl)-1H-indazole-5-carboxamide has a molecular weight of 463.54 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-N-methyl-N-(4-morpholin-4-ylphenyl)-3-(piperidine-1-carbonyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 135567214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).