[(5R)-5-[(1-hydroxycyclohexyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone

C23H38N4O2 — CID 26220538

IUPAC[(5R)-5-[(1-hydroxycyclohexyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCC1(O)CCCCC1)C2
InChIInChI=1S/C23H38N4O2/c1-17(2)15-27-20-9-8-18(24-16-23(29)10-4-3-5-11-23)14-19(20)21(25-27)22(28)26-12-6-7-13-26/h17-18,24,29H,3-16H2,1-2H3/t18-/m1/s1
InChIKeyLHMQAIQOOHHHAR-GOSISDBHSA-N
MW402.58 g/mol
LogP2.92
Rot. Bonds6

About [(5R)-5-[(1-hydroxycyclohexyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone

[(5R)-5-[(1-hydroxycyclohexyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 26220538) has the molecular formula C23H38N4O2 and a molecular weight of 402.58 g/mol. Its IUPAC name is [(5R)-5-[(1-hydroxycyclohexyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(5R)-5-[(1-hydroxycyclohexyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID26220538
Molecular FormulaC23H38N4O2
Molecular Weight402.58 g/mol
Exact Mass402.30
IUPAC Name[(5R)-5-[(1-hydroxycyclohexyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCC1(O)CCCCC1)C2
InChIInChI=1S/C23H38N4O2/c1-17(2)15-27-20-9-8-18(24-16-23(29)10-4-3-5-11-23)14-19(20)21(25-27)22(28)26-12-6-7-13-26/h17-18,24,29H,3-16H2,1-2H3/t18-/m1/s1
InChIKeyLHMQAIQOOHHHAR-GOSISDBHSA-N
XLogP2.92
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(5R)-5-[(1-hydroxycyclohexyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

[5-(3-methylbutylamino)-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 45162186
[5-(cyclopropylmethylamino)-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 45163430
[5-(cyclopropylamino)-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 45162178
[5-[(1-hydroxycyclohexyl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone
CID 45163909
[(5S)-1-methyl-5-[(1-piperidin-1-ylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 51656926
[(5S)-1-(2-methylpropyl)-5-(2-pyridin-2-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 26234647
[(5R)-1-(2-methylpropyl)-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 26134882
[(5R)-1-ethyl-5-(2-piperidin-1-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 29124255
[1-(2-methylpropyl)-5-(3-methylsulfanylpropylamino)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 45159658
[5-[2-(cyclohexen-1-yl)ethylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 45161370
azepan-1-yl-[(5R)-5-(cyclopentylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 26228789
[5-(cyclooctylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 45165260

Frequently Asked Questions

What is the IUPAC name of [(5R)-5-[(1-hydroxycyclohexyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(5R)-5-[(1-hydroxycyclohexyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone (CID 26220538) is [(5R)-5-[(1-hydroxycyclohexyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(5R)-5-[(1-hydroxycyclohexyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(5R)-5-[(1-hydroxycyclohexyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone is CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCC1(O)CCCCC1)C2.
What is the InChIKey of [(5R)-5-[(1-hydroxycyclohexyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is LHMQAIQOOHHHAR-GOSISDBHSA-N. The full InChI is InChI=1S/C23H38N4O2/c1-17(2)15-27-20-9-8-18(24-16-23(29)10-4-3-5-11-23)14-19(20)21(25-27)22(28)26-12-6-7-13-26/h17-18,24,29H,3-16H2,1-2H3/t18-/m1/s1.
What are the key properties of [(5R)-5-[(1-hydroxycyclohexyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone?
[(5R)-5-[(1-hydroxycyclohexyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 402.58 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-[(1-hydroxycyclohexyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 26220538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).