5-[4-[4-[4-(4-methoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methylpyridine-2-carboxamide

C31H34N8O2 — CID 118356337

IUPAC5-[4-[4-[4-(4-methoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2cc3c(N4CCC(C)(c5nc(-c6ccc(OC)c(C)c6)c(C)[nH]5)CC4)ncnc3[nH]2)cn1
InChIInChI=1S/C31H34N8O2/c1-18-14-20(7-9-25(18)41-5)26-19(2)36-30(38-26)31(3)10-12-39(13-11-31)28-22-15-24(37-27(22)34-17-35-28)21-6-8-23(33-16-21)29(40)32-4/h6-9,14-17H,10-13H2,1-5H3,(H,32,40)(H,36,38)(H,34,35,37)
InChIKeyQCYMIRJKFDXERW-UHFFFAOYSA-N
MW550.67 g/mol
LogP4.95
Rot. Bonds6

About 5-[4-[4-[4-(4-methoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methylpyridine-2-carboxamide

5-[4-[4-[4-(4-methoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methylpyridine-2-carboxamide (PubChem CID 118356337) has the molecular formula C31H34N8O2 and a molecular weight of 550.67 g/mol. Its IUPAC name is 5-[4-[4-[4-(4-methoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[4-[4-(4-methoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methylpyridine-2-carboxamide
PubChem CID118356337
Molecular FormulaC31H34N8O2
Molecular Weight550.67 g/mol
Exact Mass550.28
IUPAC Name5-[4-[4-[4-(4-methoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2cc3c(N4CCC(C)(c5nc(-c6ccc(OC)c(C)c6)c(C)[nH]5)CC4)ncnc3[nH]2)cn1
InChIInChI=1S/C31H34N8O2/c1-18-14-20(7-9-25(18)41-5)26-19(2)36-30(38-26)31(3)10-12-39(13-11-31)28-22-15-24(37-27(22)34-17-35-28)21-6-8-23(33-16-21)29(40)32-4/h6-9,14-17H,10-13H2,1-5H3,(H,32,40)(H,36,38)(H,34,35,37)
InChIKeyQCYMIRJKFDXERW-UHFFFAOYSA-N
XLogP4.95
TPSA124.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.67
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[4-(4-methoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[4-[4-[4-(4-methoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methylpyridine-2-carboxamide (CID 118356337) is 5-[4-[4-[4-(4-methoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[4-[4-(4-methoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-[4-[4-(4-methoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(-c2cc3c(N4CCC(C)(c5nc(-c6ccc(OC)c(C)c6)c(C)[nH]5)CC4)ncnc3[nH]2)cn1.
What is the InChIKey of 5-[4-[4-[4-(4-methoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is QCYMIRJKFDXERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N8O2/c1-18-14-20(7-9-25(18)41-5)26-19(2)36-30(38-26)31(3)10-12-39(13-11-31)28-22-15-24(37-27(22)34-17-35-28)21-6-8-23(33-16-21)29(40)32-4/h6-9,14-17H,10-13H2,1-5H3,(H,32,40)(H,36,38)(H,34,35,37).
What are the key properties of 5-[4-[4-[4-(4-methoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methylpyridine-2-carboxamide?
5-[4-[4-[4-(4-methoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 550.67 g/mol, XLogP of 4.95, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[4-(4-methoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 118356337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).