1-[3-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]-3-(1-methylpyrazol-3-yl)urea

C22H39N7O2 — CID 140515766

IUPAC1-[3-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]-3-(1-methylpyrazol-3-yl)urea
SMILESCOC1CCC(C2CNC(NC3CCCC(NC(=O)Nc4ccn(C)n4)C3)NC2)CC1
InChIInChI=1S/C22H39N7O2/c1-29-11-10-20(28-29)27-22(30)26-18-5-3-4-17(12-18)25-21-23-13-16(14-24-21)15-6-8-19(31-2)9-7-15/h10-11,15-19,21,23-25H,3-9,12-14H2,1-2H3,(H2,26,27,28,30)
InChIKeyLQDOBAOIRJYTCE-UHFFFAOYSA-N
MW433.60 g/mol
LogP1.74
Rot. Bonds6

About 1-[3-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]-3-(1-methylpyrazol-3-yl)urea

1-[3-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]-3-(1-methylpyrazol-3-yl)urea (PubChem CID 140515766) has the molecular formula C22H39N7O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is 1-[3-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]-3-(1-methylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[3-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]-3-(1-methylpyrazol-3-yl)urea
PubChem CID140515766
Molecular FormulaC22H39N7O2
Molecular Weight433.60 g/mol
Exact Mass433.32
IUPAC Name1-[3-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]-3-(1-methylpyrazol-3-yl)urea
SMILESCOC1CCC(C2CNC(NC3CCCC(NC(=O)Nc4ccn(C)n4)C3)NC2)CC1
InChIInChI=1S/C22H39N7O2/c1-29-11-10-20(28-29)27-22(30)26-18-5-3-4-17(12-18)25-21-23-13-16(14-24-21)15-6-8-19(31-2)9-7-15/h10-11,15-19,21,23-25H,3-9,12-14H2,1-2H3,(H2,26,27,28,30)
InChIKeyLQDOBAOIRJYTCE-UHFFFAOYSA-N
XLogP1.74
TPSA104.27 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 51.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 1-[3-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]-3-(1-methylpyrazol-3-yl)urea with MolForge

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Related Compounds

1-(3-Ethoxyspiro[3.5]nonan-1-yl)-1-methyl-3-(1-methylpyrazol-3-yl)urea
CID 102559032
4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide
CID 140515989
1-(3-Cyclohexyloxypropyl)-3-(2-cyclohexylpyrazol-3-yl)urea
CID 51117955
1-[1-(3-Methoxypropyl)pyrazol-3-yl]-3-(4-methylcyclohexyl)urea
CID 72008006
N'-[1-(cyclohexylmethyl)-1H-pyrazol-5-yl]-N-ethyl-N-(tetrahydro-2H-pyran-4-ylmethyl)urea
CID 72887181
1-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-1-methyl-3-(1-methylpyrazol-3-yl)urea
CID 99813952
1-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-1-methyl-3-(1-methylpyrazol-3-yl)urea
CID 99813953
1-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-1-methyl-3-(1-methylpyrazol-3-yl)urea
CID 99813954
1-[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-1-methyl-3-(1-methylpyrazol-3-yl)urea
CID 99813955
1-[(4-Tert-butyl-1-hydroxycyclohexyl)methyl]-3-(1-methylpyrazol-3-yl)urea
CID 111116977
1-(2-Cyclohexylpyrazol-3-yl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111474390
1-[(3-Hydroxycyclohexyl)methyl]-3-(1-methylpyrazol-3-yl)urea
CID 111474396

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]-3-(1-methylpyrazol-3-yl)urea?
The IUPAC name of 1-[3-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]-3-(1-methylpyrazol-3-yl)urea (CID 140515766) is 1-[3-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]-3-(1-methylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[3-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]-3-(1-methylpyrazol-3-yl)urea?
The canonical SMILES for 1-[3-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]-3-(1-methylpyrazol-3-yl)urea is COC1CCC(C2CNC(NC3CCCC(NC(=O)Nc4ccn(C)n4)C3)NC2)CC1.
What is the InChIKey of 1-[3-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]-3-(1-methylpyrazol-3-yl)urea?
The InChIKey is LQDOBAOIRJYTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N7O2/c1-29-11-10-20(28-29)27-22(30)26-18-5-3-4-17(12-18)25-21-23-13-16(14-24-21)15-6-8-19(31-2)9-7-15/h10-11,15-19,21,23-25H,3-9,12-14H2,1-2H3,(H2,26,27,28,30).
What are the key properties of 1-[3-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]-3-(1-methylpyrazol-3-yl)urea?
1-[3-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]-3-(1-methylpyrazol-3-yl)urea has a molecular weight of 433.60 g/mol, XLogP of 1.74, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]-3-(1-methylpyrazol-3-yl)urea is sourced from PubChem (CID 140515766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).