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

C24H29N7O2 — CID 169277871

IUPAC1-methyl-4-[[5-[2-methyl-3-(oxetan-3-ylmethyl)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)nc2n1CC1COC1
InChIInChI=1S/C24H29N7O2/c1-15-26-20-4-3-19(28-22(20)30(15)12-16-13-33-14-16)18-7-10-31-21(18)11-25-23(29-31)27-17-5-8-24(2,32)9-6-17/h3-4,7,10-11,16-17,32H,5-6,8-9,12-14H2,1-2H3,(H,27,29)
InChIKeyRDOXAEADFJJKQB-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.20
Rot. Bonds5

About 1-methyl-4-[[5-[2-methyl-3-(oxetan-3-ylmethyl)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-(oxetan-3-ylmethyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexan-1-ol (PubChem CID 169277871) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 1-methyl-4-[[5-[2-methyl-3-(oxetan-3-ylmethyl)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-(oxetan-3-ylmethyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexan-1-ol
PubChem CID169277871
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC Name1-methyl-4-[[5-[2-methyl-3-(oxetan-3-ylmethyl)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)nc2n1CC1COC1
InChIInChI=1S/C24H29N7O2/c1-15-26-20-4-3-19(28-22(20)30(15)12-16-13-33-14-16)18-7-10-31-21(18)11-25-23(29-31)27-17-5-8-24(2,32)9-6-17/h3-4,7,10-11,16-17,32H,5-6,8-9,12-14H2,1-2H3,(H,27,29)
InChIKeyRDOXAEADFJJKQB-UHFFFAOYSA-N
XLogP3.20
TPSA102.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-methyl-4-[[5-[2-methyl-3-(oxetan-3-ylmethyl)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-(oxetan-3-ylmethyl)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-(oxetan-3-ylmethyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexan-1-ol (CID 169277871) is 1-methyl-4-[[5-[2-methyl-3-(oxetan-3-ylmethyl)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-(oxetan-3-ylmethyl)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-(oxetan-3-ylmethyl)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)nc2n1CC1COC1.
What is the InChIKey of 1-methyl-4-[[5-[2-methyl-3-(oxetan-3-ylmethyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is RDOXAEADFJJKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2/c1-15-26-20-4-3-19(28-22(20)30(15)12-16-13-33-14-16)18-7-10-31-21(18)11-25-23(29-31)27-17-5-8-24(2,32)9-6-17/h3-4,7,10-11,16-17,32H,5-6,8-9,12-14H2,1-2H3,(H,27,29).
What are the key properties of 1-methyl-4-[[5-[2-methyl-3-(oxetan-3-ylmethyl)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-(oxetan-3-ylmethyl)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 447.54 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[5-[2-methyl-3-(oxetan-3-ylmethyl)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 169277871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).