[(5R)-1-ethyl-5-[(1-phenylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone

C29H43N5O — CID 26139421

IUPAC[(5R)-1-ethyl-5-[(1-phenylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCCn1nc(C(=O)N2CCCN(C)CC2)c2c1CC[C@@H](NCC1(c3ccccc3)CCCCC1)C2
InChIInChI=1S/C29H43N5O/c1-3-34-26-14-13-24(30-22-29(15-8-5-9-16-29)23-11-6-4-7-12-23)21-25(26)27(31-34)28(35)33-18-10-17-32(2)19-20-33/h4,6-7,11-12,24,30H,3,5,8-10,13-22H2,1-2H3/t24-/m1/s1
InChIKeyRBDKWJYUCADKTE-XMMPIXPASA-N
MW477.70 g/mol
LogP4.03
Rot. Bonds6

About [(5R)-1-ethyl-5-[(1-phenylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone

[(5R)-1-ethyl-5-[(1-phenylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone (PubChem CID 26139421) has the molecular formula C29H43N5O and a molecular weight of 477.70 g/mol. Its IUPAC name is [(5R)-1-ethyl-5-[(1-phenylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name[(5R)-1-ethyl-5-[(1-phenylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
PubChem CID26139421
Molecular FormulaC29H43N5O
Molecular Weight477.70 g/mol
Exact Mass477.35
IUPAC Name[(5R)-1-ethyl-5-[(1-phenylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCCn1nc(C(=O)N2CCCN(C)CC2)c2c1CC[C@@H](NCC1(c3ccccc3)CCCCC1)C2
InChIInChI=1S/C29H43N5O/c1-3-34-26-14-13-24(30-22-29(15-8-5-9-16-29)23-11-6-4-7-12-23)21-25(26)27(31-34)28(35)33-18-10-17-32(2)19-20-33/h4,6-7,11-12,24,30H,3,5,8-10,13-22H2,1-2H3/t24-/m1/s1
InChIKeyRBDKWJYUCADKTE-XMMPIXPASA-N
XLogP4.03
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.70
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(5R)-1-ethyl-5-[(1-phenylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methylpiperazin-1-yl)-[5-[(1-phenylcyclopentyl)methylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 45159141
[5-(cycloheptylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 45164358
[1-ethyl-5-(2-phenylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 45164558
[1-ethyl-5-[(2-fluorophenyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 45161612
[(5R)-1-ethyl-5-(2-piperidin-1-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 29124255
[(5R)-1-ethyl-5-(2-thiophen-2-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 26142283
azepan-1-yl-[5-(2-phenylethylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 158514378
azepan-1-yl-[1-ethyl-5-(pyridin-4-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 45162740
[(5S)-1-ethyl-5-[(5-phenyl-1,2-oxazol-3-yl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 26227307
[1-ethyl-5-(2-thiophen-2-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 45164738
[5-[(2-chlorophenyl)methylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 45160212
azepan-1-yl-[(5R)-5-(cyclopentylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 26228789

Frequently Asked Questions

What is the IUPAC name of [(5R)-1-ethyl-5-[(1-phenylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of [(5R)-1-ethyl-5-[(1-phenylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone (CID 26139421) is [(5R)-1-ethyl-5-[(1-phenylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for [(5R)-1-ethyl-5-[(1-phenylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for [(5R)-1-ethyl-5-[(1-phenylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone is CCn1nc(C(=O)N2CCCN(C)CC2)c2c1CC[C@@H](NCC1(c3ccccc3)CCCCC1)C2.
What is the InChIKey of [(5R)-1-ethyl-5-[(1-phenylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The InChIKey is RBDKWJYUCADKTE-XMMPIXPASA-N. The full InChI is InChI=1S/C29H43N5O/c1-3-34-26-14-13-24(30-22-29(15-8-5-9-16-29)23-11-6-4-7-12-23)21-25(26)27(31-34)28(35)33-18-10-17-32(2)19-20-33/h4,6-7,11-12,24,30H,3,5,8-10,13-22H2,1-2H3/t24-/m1/s1.
What are the key properties of [(5R)-1-ethyl-5-[(1-phenylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
[(5R)-1-ethyl-5-[(1-phenylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone has a molecular weight of 477.70 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-1-ethyl-5-[(1-phenylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 26139421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).