4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide

C22H38N6O2 — CID 140515989

IUPAC4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide
SMILESCOC1CCC(C2CNC(NC3CCC(C(=O)Nc4ccn(C)n4)CC3)NC2)CC1
InChIInChI=1S/C22H38N6O2/c1-28-12-11-20(27-28)26-21(29)16-3-7-18(8-4-16)25-22-23-13-17(14-24-22)15-5-9-19(30-2)10-6-15/h11-12,15-19,22-25H,3-10,13-14H2,1-2H3,(H,26,27,29)
InChIKeyLIFZJJLXXXQEML-UHFFFAOYSA-N
MW418.59 g/mol
LogP1.80
Rot. Bonds6

About 4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide

4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide (PubChem CID 140515989) has the molecular formula C22H38N6O2 and a molecular weight of 418.59 g/mol. Its IUPAC name is 4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide
PubChem CID140515989
Molecular FormulaC22H38N6O2
Molecular Weight418.59 g/mol
Exact Mass418.31
IUPAC Name4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide
SMILESCOC1CCC(C2CNC(NC3CCC(C(=O)Nc4ccn(C)n4)CC3)NC2)CC1
InChIInChI=1S/C22H38N6O2/c1-28-12-11-20(27-28)26-21(29)16-3-7-18(8-4-16)25-22-23-13-17(14-24-22)15-5-9-19(30-2)10-6-15/h11-12,15-19,22-25H,3-10,13-14H2,1-2H3,(H,26,27,29)
InChIKeyLIFZJJLXXXQEML-UHFFFAOYSA-N
XLogP1.80
TPSA92.24 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.59
LogP ≤ 51.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]-N-(1-methylpyrazol-3-yl)cyclohexane-1-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 4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide (CID 140515989) is 4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide is COC1CCC(C2CNC(NC3CCC(C(=O)Nc4ccn(C)n4)CC3)NC2)CC1.
What is the InChIKey of 4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide?
The InChIKey is LIFZJJLXXXQEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N6O2/c1-28-12-11-20(27-28)26-21(29)16-3-7-18(8-4-16)25-22-23-13-17(14-24-22)15-5-9-19(30-2)10-6-15/h11-12,15-19,22-25H,3-10,13-14H2,1-2H3,(H,26,27,29).
What are the key properties of 4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide?
4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide has a molecular weight of 418.59 g/mol, XLogP of 1.80, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 140515989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).