1-methyl-4-[[5-[2-methyl-3-(2-methylpropyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexan-1-ol

C24H31N7O — CID 169277862

IUPAC1-methyl-4-[[5-[2-methyl-3-(2-methylpropyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexan-1-ol
SMILESCc1nc2ccc(-c3ccn4nc(NC5CCC(C)(O)CC5)ncc34)nc2n1CC(C)C
InChIInChI=1S/C24H31N7O/c1-15(2)14-30-16(3)26-20-6-5-19(28-22(20)30)18-9-12-31-21(18)13-25-23(29-31)27-17-7-10-24(4,32)11-8-17/h5-6,9,12-13,15,17,32H,7-8,10-11,14H2,1-4H3,(H,27,29)
InChIKeyNBEKHRIYMDMELQ-UHFFFAOYSA-N
MW433.56 g/mol
LogP4.21
Rot. Bonds5

About 1-methyl-4-[[5-[2-methyl-3-(2-methylpropyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexan-1-ol

1-methyl-4-[[5-[2-methyl-3-(2-methylpropyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexan-1-ol (PubChem CID 169277862) has the molecular formula C24H31N7O and a molecular weight of 433.56 g/mol. Its IUPAC name is 1-methyl-4-[[5-[2-methyl-3-(2-methylpropyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name1-methyl-4-[[5-[2-methyl-3-(2-methylpropyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexan-1-ol
PubChem CID169277862
Molecular FormulaC24H31N7O
Molecular Weight433.56 g/mol
Exact Mass433.26
IUPAC Name1-methyl-4-[[5-[2-methyl-3-(2-methylpropyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexan-1-ol
SMILESCc1nc2ccc(-c3ccn4nc(NC5CCC(C)(O)CC5)ncc34)nc2n1CC(C)C
InChIInChI=1S/C24H31N7O/c1-15(2)14-30-16(3)26-20-6-5-19(28-22(20)30)18-9-12-31-21(18)13-25-23(29-31)27-17-7-10-24(4,32)11-8-17/h5-6,9,12-13,15,17,32H,7-8,10-11,14H2,1-4H3,(H,27,29)
InChIKeyNBEKHRIYMDMELQ-UHFFFAOYSA-N
XLogP4.21
TPSA93.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-methyl-4-[[5-[2-methyl-3-(2-methylpropyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexan-1-ol 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 1-methyl-4-[[5-[2-methyl-3-(2-methylpropyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 1-methyl-4-[[5-[2-methyl-3-(2-methylpropyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexan-1-ol (CID 169277862) is 1-methyl-4-[[5-[2-methyl-3-(2-methylpropyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 1-methyl-4-[[5-[2-methyl-3-(2-methylpropyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 1-methyl-4-[[5-[2-methyl-3-(2-methylpropyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexan-1-ol is Cc1nc2ccc(-c3ccn4nc(NC5CCC(C)(O)CC5)ncc34)nc2n1CC(C)C.
What is the InChIKey of 1-methyl-4-[[5-[2-methyl-3-(2-methylpropyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is NBEKHRIYMDMELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O/c1-15(2)14-30-16(3)26-20-6-5-19(28-22(20)30)18-9-12-31-21(18)13-25-23(29-31)27-17-7-10-24(4,32)11-8-17/h5-6,9,12-13,15,17,32H,7-8,10-11,14H2,1-4H3,(H,27,29).
What are the key properties of 1-methyl-4-[[5-[2-methyl-3-(2-methylpropyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexan-1-ol?
1-methyl-4-[[5-[2-methyl-3-(2-methylpropyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 433.56 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[5-[2-methyl-3-(2-methylpropyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 169277862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).