7-methoxy-1-(2-morpholin-4-ylethyl)-N-[[(1S,2S)-2,4,4-trimethylcyclohexyl]methyl]indazole-3-carboxamide

C25H38N4O3 — CID 20604385

IUPAC7-methoxy-1-(2-morpholin-4-ylethyl)-N-[[(1S,2S)-2,4,4-trimethylcyclohexyl]methyl]indazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NC[C@H]3CCC(C)(C)C[C@@H]3C)nn(CCN3CCOCC3)c12
InChIInChI=1S/C25H38N4O3/c1-18-16-25(2,3)9-8-19(18)17-26-24(30)22-20-6-5-7-21(31-4)23(20)29(27-22)11-10-28-12-14-32-15-13-28/h5-7,18-19H,8-17H2,1-4H3,(H,26,30)/t18-,19+/m0/s1
InChIKeyVNETVPYNFNWKNX-RBUKOAKNSA-N
MW442.60 g/mol
LogP3.57
Rot. Bonds7

About 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[[(1S,2S)-2,4,4-trimethylcyclohexyl]methyl]indazole-3-carboxamide

7-methoxy-1-(2-morpholin-4-ylethyl)-N-[[(1S,2S)-2,4,4-trimethylcyclohexyl]methyl]indazole-3-carboxamide (PubChem CID 20604385) has the molecular formula C25H38N4O3 and a molecular weight of 442.60 g/mol. Its IUPAC name is 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[[(1S,2S)-2,4,4-trimethylcyclohexyl]methyl]indazole-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-1-(2-morpholin-4-ylethyl)-N-[[(1S,2S)-2,4,4-trimethylcyclohexyl]methyl]indazole-3-carboxamide
PubChem CID20604385
Molecular FormulaC25H38N4O3
Molecular Weight442.60 g/mol
Exact Mass442.29
IUPAC Name7-methoxy-1-(2-morpholin-4-ylethyl)-N-[[(1S,2S)-2,4,4-trimethylcyclohexyl]methyl]indazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NC[C@H]3CCC(C)(C)C[C@@H]3C)nn(CCN3CCOCC3)c12
InChIInChI=1S/C25H38N4O3/c1-18-16-25(2,3)9-8-19(18)17-26-24(30)22-20-6-5-7-21(31-4)23(20)29(27-22)11-10-28-12-14-32-15-13-28/h5-7,18-19H,8-17H2,1-4H3,(H,26,30)/t18-,19+/m0/s1
InChIKeyVNETVPYNFNWKNX-RBUKOAKNSA-N
XLogP3.57
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[[(1S,2S)-2,4,4-trimethylcyclohexyl]methyl]indazole-3-carboxamide with MolForge

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Related Compounds

7-methoxy-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indazole-3-carboxamide
CID 10928335
N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 20604626
7-methoxy-1-(2-morpholin-4-ylethyl)-N-(2,4,6-trimethylphenyl)indazole-3-carboxamide
CID 18765263
N-(2,3-dihydro-1H-inden-2-yl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 20604642
7-methoxy-N-(5-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 20604498
7-methoxy-1-(2-morpholin-4-ylethyl)-N-(pyridin-3-ylmethyl)indazole-3-carboxamide
CID 18765507
N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 18765320
7-methoxy-N-[2-(3-methylimidazol-4-yl)ethyl]-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 18765480
7-methoxy-N-(2-methoxy-4-methyl-3-pyridinyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 18765431
7-methoxy-1-(2-morpholin-4-ylethyl)-N-(1-phenylpropyl)indazole-3-carboxamide
CID 18765265
N-[1-(4-chlorophenyl)propan-2-yl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 18765301
N-benzyl-7-methoxy-1-(2-morpholin-4-ylethyl)-N-phenylindazole-3-carboxamide
CID 18765386

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[[(1S,2S)-2,4,4-trimethylcyclohexyl]methyl]indazole-3-carboxamide?
The IUPAC name of 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[[(1S,2S)-2,4,4-trimethylcyclohexyl]methyl]indazole-3-carboxamide (CID 20604385) is 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[[(1S,2S)-2,4,4-trimethylcyclohexyl]methyl]indazole-3-carboxamide.
What is the SMILES notation for 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[[(1S,2S)-2,4,4-trimethylcyclohexyl]methyl]indazole-3-carboxamide?
The canonical SMILES for 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[[(1S,2S)-2,4,4-trimethylcyclohexyl]methyl]indazole-3-carboxamide is COc1cccc2c(C(=O)NC[C@H]3CCC(C)(C)C[C@@H]3C)nn(CCN3CCOCC3)c12.
What is the InChIKey of 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[[(1S,2S)-2,4,4-trimethylcyclohexyl]methyl]indazole-3-carboxamide?
The InChIKey is VNETVPYNFNWKNX-RBUKOAKNSA-N. The full InChI is InChI=1S/C25H38N4O3/c1-18-16-25(2,3)9-8-19(18)17-26-24(30)22-20-6-5-7-21(31-4)23(20)29(27-22)11-10-28-12-14-32-15-13-28/h5-7,18-19H,8-17H2,1-4H3,(H,26,30)/t18-,19+/m0/s1.
What are the key properties of 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[[(1S,2S)-2,4,4-trimethylcyclohexyl]methyl]indazole-3-carboxamide?
7-methoxy-1-(2-morpholin-4-ylethyl)-N-[[(1S,2S)-2,4,4-trimethylcyclohexyl]methyl]indazole-3-carboxamide has a molecular weight of 442.60 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[[(1S,2S)-2,4,4-trimethylcyclohexyl]methyl]indazole-3-carboxamide is sourced from PubChem (CID 20604385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).