2-[4-[[(2-cyclohexyl-2-hydroxyethyl)amino]methyl]phenyl]indazole-7-carboxamide

C23H28N4O2 — CID 87362262

IUPAC2-[4-[[(2-cyclohexyl-2-hydroxyethyl)amino]methyl]phenyl]indazole-7-carboxamide
SMILESNC(=O)c1cccc2cn(-c3ccc(CNCC(O)C4CCCCC4)cc3)nc12
InChIInChI=1S/C23H28N4O2/c24-23(29)20-8-4-7-18-15-27(26-22(18)20)19-11-9-16(10-12-19)13-25-14-21(28)17-5-2-1-3-6-17/h4,7-12,15,17,21,25,28H,1-3,5-6,13-14H2,(H2,24,29)
InChIKeyQHRYSFXWPMPUKN-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.16
Rot. Bonds7

About 2-[4-[[(2-cyclohexyl-2-hydroxyethyl)amino]methyl]phenyl]indazole-7-carboxamide

2-[4-[[(2-cyclohexyl-2-hydroxyethyl)amino]methyl]phenyl]indazole-7-carboxamide (PubChem CID 87362262) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[4-[[(2-cyclohexyl-2-hydroxyethyl)amino]methyl]phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[4-[[(2-cyclohexyl-2-hydroxyethyl)amino]methyl]phenyl]indazole-7-carboxamide
PubChem CID87362262
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name2-[4-[[(2-cyclohexyl-2-hydroxyethyl)amino]methyl]phenyl]indazole-7-carboxamide
SMILESNC(=O)c1cccc2cn(-c3ccc(CNCC(O)C4CCCCC4)cc3)nc12
InChIInChI=1S/C23H28N4O2/c24-23(29)20-8-4-7-18-15-27(26-22(18)20)19-11-9-16(10-12-19)13-25-14-21(28)17-5-2-1-3-6-17/h4,7-12,15,17,21,25,28H,1-3,5-6,13-14H2,(H2,24,29)
InChIKeyQHRYSFXWPMPUKN-UHFFFAOYSA-N
XLogP3.16
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2-cyclohexyl-2-hydroxyethyl)amino]methyl]phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[4-[[(2-cyclohexyl-2-hydroxyethyl)amino]methyl]phenyl]indazole-7-carboxamide (CID 87362262) is 2-[4-[[(2-cyclohexyl-2-hydroxyethyl)amino]methyl]phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[4-[[(2-cyclohexyl-2-hydroxyethyl)amino]methyl]phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[4-[[(2-cyclohexyl-2-hydroxyethyl)amino]methyl]phenyl]indazole-7-carboxamide is NC(=O)c1cccc2cn(-c3ccc(CNCC(O)C4CCCCC4)cc3)nc12.
What is the InChIKey of 2-[4-[[(2-cyclohexyl-2-hydroxyethyl)amino]methyl]phenyl]indazole-7-carboxamide?
The InChIKey is QHRYSFXWPMPUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c24-23(29)20-8-4-7-18-15-27(26-22(18)20)19-11-9-16(10-12-19)13-25-14-21(28)17-5-2-1-3-6-17/h4,7-12,15,17,21,25,28H,1-3,5-6,13-14H2,(H2,24,29).
What are the key properties of 2-[4-[[(2-cyclohexyl-2-hydroxyethyl)amino]methyl]phenyl]indazole-7-carboxamide?
2-[4-[[(2-cyclohexyl-2-hydroxyethyl)amino]methyl]phenyl]indazole-7-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 3.16, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2-cyclohexyl-2-hydroxyethyl)amino]methyl]phenyl]indazole-7-carboxamide is sourced from PubChem (CID 87362262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).