3-[4-(4-hydroxypiperidin-1-yl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-indazole-5-carboxamide

C30H39N5O3 — CID 71550158

IUPAC3-[4-(4-hydroxypiperidin-1-yl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-indazole-5-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)c1ccc2[nH]nc(-c3ccc(N4CCC(O)CC4)cc3)c2c1
InChIInChI=1S/C30H39N5O3/c36-25-10-14-34(15-11-25)24-7-4-22(5-8-24)28-26-20-23(6-9-27(26)32-33-28)29(37)31-21-30(12-2-1-3-13-30)35-16-18-38-19-17-35/h4-9,20,25,36H,1-3,10-19,21H2,(H,31,37)(H,32,33)
InChIKeyGHYXABXKGBNWLA-UHFFFAOYSA-N
MW517.67 g/mol
LogP3.96
Rot. Bonds6

About 3-[4-(4-hydroxypiperidin-1-yl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-indazole-5-carboxamide

3-[4-(4-hydroxypiperidin-1-yl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-indazole-5-carboxamide (PubChem CID 71550158) has the molecular formula C30H39N5O3 and a molecular weight of 517.67 g/mol. Its IUPAC name is 3-[4-(4-hydroxypiperidin-1-yl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[4-(4-hydroxypiperidin-1-yl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-indazole-5-carboxamide
PubChem CID71550158
Molecular FormulaC30H39N5O3
Molecular Weight517.67 g/mol
Exact Mass517.31
IUPAC Name3-[4-(4-hydroxypiperidin-1-yl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-indazole-5-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)c1ccc2[nH]nc(-c3ccc(N4CCC(O)CC4)cc3)c2c1
InChIInChI=1S/C30H39N5O3/c36-25-10-14-34(15-11-25)24-7-4-22(5-8-24)28-26-20-23(6-9-27(26)32-33-28)29(37)31-21-30(12-2-1-3-13-30)35-16-18-38-19-17-35/h4-9,20,25,36H,1-3,10-19,21H2,(H,31,37)(H,32,33)
InChIKeyGHYXABXKGBNWLA-UHFFFAOYSA-N
XLogP3.96
TPSA93.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.67
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-hydroxypiperidin-1-yl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-indazole-5-carboxamide?
The IUPAC name of 3-[4-(4-hydroxypiperidin-1-yl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-indazole-5-carboxamide (CID 71550158) is 3-[4-(4-hydroxypiperidin-1-yl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[4-(4-hydroxypiperidin-1-yl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[4-(4-hydroxypiperidin-1-yl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-indazole-5-carboxamide is O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc2[nH]nc(-c3ccc(N4CCC(O)CC4)cc3)c2c1.
What is the InChIKey of 3-[4-(4-hydroxypiperidin-1-yl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-indazole-5-carboxamide?
The InChIKey is GHYXABXKGBNWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N5O3/c36-25-10-14-34(15-11-25)24-7-4-22(5-8-24)28-26-20-23(6-9-27(26)32-33-28)29(37)31-21-30(12-2-1-3-13-30)35-16-18-38-19-17-35/h4-9,20,25,36H,1-3,10-19,21H2,(H,31,37)(H,32,33).
What are the key properties of 3-[4-(4-hydroxypiperidin-1-yl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-indazole-5-carboxamide?
3-[4-(4-hydroxypiperidin-1-yl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-indazole-5-carboxamide has a molecular weight of 517.67 g/mol, XLogP of 3.96, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-hydroxypiperidin-1-yl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 71550158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).