(5S)-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

C21H34N4O2 — CID 164637916

IUPAC(5S)-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESCC1(C)CN(C2(CNC(=O)[C@H]3CCc4[nH]ncc4C3)CCCCC2)CCO1
InChIInChI=1S/C21H34N4O2/c1-20(2)15-25(10-11-27-20)21(8-4-3-5-9-21)14-22-19(26)16-6-7-18-17(12-16)13-23-24-18/h13,16H,3-12,14-15H2,1-2H3,(H,22,26)(H,23,24)/t16-/m0/s1
InChIKeySLJKWQVXALUDEN-INIZCTEOSA-N
MW374.53 g/mol
LogP2.44
Rot. Bonds4

About (5S)-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

(5S)-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (PubChem CID 164637916) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is (5S)-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
PubChem CID164637916
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name(5S)-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESCC1(C)CN(C2(CNC(=O)[C@H]3CCc4[nH]ncc4C3)CCCCC2)CCO1
InChIInChI=1S/C21H34N4O2/c1-20(2)15-25(10-11-27-20)21(8-4-3-5-9-21)14-22-19(26)16-6-7-18-17(12-16)13-23-24-18/h13,16H,3-12,14-15H2,1-2H3,(H,22,26)(H,23,24)/t16-/m0/s1
InChIKeySLJKWQVXALUDEN-INIZCTEOSA-N
XLogP2.44
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5S)-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-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 (5S)-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The IUPAC name of (5S)-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (CID 164637916) is (5S)-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.
What is the SMILES notation for (5S)-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The canonical SMILES for (5S)-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is CC1(C)CN(C2(CNC(=O)[C@H]3CCc4[nH]ncc4C3)CCCCC2)CCO1.
What is the InChIKey of (5S)-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The InChIKey is SLJKWQVXALUDEN-INIZCTEOSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-20(2)15-25(10-11-27-20)21(8-4-3-5-9-21)14-22-19(26)16-6-7-18-17(12-16)13-23-24-18/h13,16H,3-12,14-15H2,1-2H3,(H,22,26)(H,23,24)/t16-/m0/s1.
What are the key properties of (5S)-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
(5S)-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is sourced from PubChem (CID 164637916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).