5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-N-(4-morpholin-4-ylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C26H34N8O — CID 168773012

IUPAC5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-N-(4-morpholin-4-ylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc2ncc(-c3c[nH]c4ncnc(NC5CCC(N6CCOCC6)CC5)c34)cc2n1C(C)C
InChIInChI=1S/C26H34N8O/c1-16(2)34-17(3)31-24-22(34)12-18(13-27-24)21-14-28-25-23(21)26(30-15-29-25)32-19-4-6-20(7-5-19)33-8-10-35-11-9-33/h12-16,19-20H,4-11H2,1-3H3,(H2,28,29,30,32)
InChIKeyGWOMIGLVEBJENN-UHFFFAOYSA-N
MW474.61 g/mol
LogP4.31
Rot. Bonds5

About 5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-N-(4-morpholin-4-ylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-N-(4-morpholin-4-ylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 168773012) has the molecular formula C26H34N8O and a molecular weight of 474.61 g/mol. Its IUPAC name is 5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-N-(4-morpholin-4-ylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-N-(4-morpholin-4-ylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID168773012
Molecular FormulaC26H34N8O
Molecular Weight474.61 g/mol
Exact Mass474.29
IUPAC Name5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-N-(4-morpholin-4-ylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc2ncc(-c3c[nH]c4ncnc(NC5CCC(N6CCOCC6)CC5)c34)cc2n1C(C)C
InChIInChI=1S/C26H34N8O/c1-16(2)34-17(3)31-24-22(34)12-18(13-27-24)21-14-28-25-23(21)26(30-15-29-25)32-19-4-6-20(7-5-19)33-8-10-35-11-9-33/h12-16,19-20H,4-11H2,1-3H3,(H2,28,29,30,32)
InChIKeyGWOMIGLVEBJENN-UHFFFAOYSA-N
XLogP4.31
TPSA96.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-N-(4-morpholin-4-ylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

4-N-methyl-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-2-N-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551296
6-(5-fluoro-3-pyridinyl)-7-methyl-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine
CID 162067741
N-[(4,4-difluorocyclohexyl)methyl]-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773196
7-fluoro-6-methyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 121255066
6-(2-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methyl-1-propan-2-ylimidazo[4,5-b]pyridine
CID 168773512
N-[(1-methylcyclopropyl)methyl]-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168774035
6-(2-methyl-1H-imidazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 130446838
N-cyclohexyl-5-(3,5-dichloro-4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 153397118
5,7-dimethyl-N-[1-(oxan-4-yl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-amine
CID 72892101
7-fluoro-6-[5-(methylamino)-3-pyridinyl]-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 130446931
5-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 140800582
N-cyclopropyl-8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine
CID 117091182

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-N-(4-morpholin-4-ylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-N-(4-morpholin-4-ylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 168773012) is 5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-N-(4-morpholin-4-ylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-N-(4-morpholin-4-ylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-N-(4-morpholin-4-ylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1nc2ncc(-c3c[nH]c4ncnc(NC5CCC(N6CCOCC6)CC5)c34)cc2n1C(C)C.
What is the InChIKey of 5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-N-(4-morpholin-4-ylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is GWOMIGLVEBJENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N8O/c1-16(2)34-17(3)31-24-22(34)12-18(13-27-24)21-14-28-25-23(21)26(30-15-29-25)32-19-4-6-20(7-5-19)33-8-10-35-11-9-33/h12-16,19-20H,4-11H2,1-3H3,(H2,28,29,30,32).
What are the key properties of 5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-N-(4-morpholin-4-ylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-N-(4-morpholin-4-ylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 474.61 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-N-(4-morpholin-4-ylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 168773012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).