4-[[5-imidazo[1,2-a]pyrimidin-6-yl-4-(trideuteriomethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclohexan-1-ol

C20H23N7O2 — CID 168773109

IUPAC4-[[5-imidazo[1,2-a]pyrimidin-6-yl-4-(trideuteriomethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclohexan-1-ol
SMILES[2H]C([2H])([2H])Oc1nc(NC2CCC(C)(O)CC2)nc2[nH]cc(-c3cnc4nccn4c3)c12
InChIInChI=1S/C20H23N7O2/c1-20(28)5-3-13(4-6-20)24-18-25-16-15(17(26-18)29-2)14(10-22-16)12-9-23-19-21-7-8-27(19)11-12/h7-11,13,28H,3-6H2,1-2H3,(H2,22,24,25,26)/i2D3
InChIKeyRDAFYLDJUPSAAW-BMSJAHLVSA-N
MW396.47 g/mol
LogP2.78
Rot. Bonds5

About 4-[[5-imidazo[1,2-a]pyrimidin-6-yl-4-(trideuteriomethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclohexan-1-ol

4-[[5-imidazo[1,2-a]pyrimidin-6-yl-4-(trideuteriomethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclohexan-1-ol (PubChem CID 168773109) has the molecular formula C20H23N7O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is 4-[[5-imidazo[1,2-a]pyrimidin-6-yl-4-(trideuteriomethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Name4-[[5-imidazo[1,2-a]pyrimidin-6-yl-4-(trideuteriomethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclohexan-1-ol
PubChem CID168773109
Molecular FormulaC20H23N7O2
Molecular Weight396.47 g/mol
Exact Mass396.21
IUPAC Name4-[[5-imidazo[1,2-a]pyrimidin-6-yl-4-(trideuteriomethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclohexan-1-ol
SMILES[2H]C([2H])([2H])Oc1nc(NC2CCC(C)(O)CC2)nc2[nH]cc(-c3cnc4nccn4c3)c12
InChIInChI=1S/C20H23N7O2/c1-20(28)5-3-13(4-6-20)24-18-25-16-15(17(26-18)29-2)14(10-22-16)12-9-23-19-21-7-8-27(19)11-12/h7-11,13,28H,3-6H2,1-2H3,(H2,22,24,25,26)/i2D3
InChIKeyRDAFYLDJUPSAAW-BMSJAHLVSA-N
XLogP2.78
TPSA113.25 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[[5-imidazo[1,2-a]pyrimidin-6-yl-4-(trideuteriomethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclohexan-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

Related Compounds

N-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1-methylcyclobutyl]propanamide
CID 168773505
1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1-methylcyclobutyl]pyrrolidin-2-one
CID 168773665
1-ethyl-4-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol
CID 168772435
1-[7-[(5-imidazo[1,2-a]pyrimidin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 168772915
1-ethyl-4-[[4-methoxy-5-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 168773298
CID 174066440
CID 174066440
1-[2-[(5-imidazo[1,2-a]pyrimidin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-7-azaspiro[3.5]nonan-7-yl]ethanone
CID 168773690
1-ethyl-4-[[4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 168773619
CID 174066317
CID 174066317
5-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-N-(2-oxaspiro[3.5]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168772962
N-(4-methoxycyclohexyl)-5-(3-methylbenzotriazol-5-yl)-4-(trideuteriomethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168772680
N-(3,3-difluorocyclopentyl)-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170657515

Frequently Asked Questions

What is the IUPAC name of 4-[[5-imidazo[1,2-a]pyrimidin-6-yl-4-(trideuteriomethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclohexan-1-ol?
The IUPAC name of 4-[[5-imidazo[1,2-a]pyrimidin-6-yl-4-(trideuteriomethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclohexan-1-ol (CID 168773109) is 4-[[5-imidazo[1,2-a]pyrimidin-6-yl-4-(trideuteriomethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclohexan-1-ol.
What is the SMILES notation for 4-[[5-imidazo[1,2-a]pyrimidin-6-yl-4-(trideuteriomethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclohexan-1-ol?
The canonical SMILES for 4-[[5-imidazo[1,2-a]pyrimidin-6-yl-4-(trideuteriomethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclohexan-1-ol is [2H]C([2H])([2H])Oc1nc(NC2CCC(C)(O)CC2)nc2[nH]cc(-c3cnc4nccn4c3)c12.
What is the InChIKey of 4-[[5-imidazo[1,2-a]pyrimidin-6-yl-4-(trideuteriomethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclohexan-1-ol?
The InChIKey is RDAFYLDJUPSAAW-BMSJAHLVSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-20(28)5-3-13(4-6-20)24-18-25-16-15(17(26-18)29-2)14(10-22-16)12-9-23-19-21-7-8-27(19)11-12/h7-11,13,28H,3-6H2,1-2H3,(H2,22,24,25,26)/i2D3.
What are the key properties of 4-[[5-imidazo[1,2-a]pyrimidin-6-yl-4-(trideuteriomethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclohexan-1-ol?
4-[[5-imidazo[1,2-a]pyrimidin-6-yl-4-(trideuteriomethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclohexan-1-ol has a molecular weight of 396.47 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-imidazo[1,2-a]pyrimidin-6-yl-4-(trideuteriomethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclohexan-1-ol is sourced from PubChem (CID 168773109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).