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

C30H30F2N8O2 — CID 118356315

IUPAC5-[4-[4-[4-[3-(difluoromethoxy)phenyl]-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(-c6cccc(OC(F)F)c6)c(C)[nH]5)CC4)ncnc3[nH]2)cn1
InChIInChI=1S/C30H30F2N8O2/c1-17-24(18-5-4-6-20(13-18)42-29(31)32)39-28(37-17)30(2)9-11-40(12-10-30)26-21-14-23(38-25(21)35-16-36-26)19-7-8-22(34-15-19)27(41)33-3/h4-8,13-16,29H,9-12H2,1-3H3,(H,33,41)(H,37,39)(H,35,36,38)
InChIKeyCWUTVZGRDRKKQF-UHFFFAOYSA-N
MW572.62 g/mol
LogP5.24
Rot. Bonds7

About 5-[4-[4-[4-[3-(difluoromethoxy)phenyl]-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-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methylpyridine-2-carboxamide (PubChem CID 118356315) has the molecular formula C30H30F2N8O2 and a molecular weight of 572.62 g/mol. Its IUPAC name is 5-[4-[4-[4-[3-(difluoromethoxy)phenyl]-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-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methylpyridine-2-carboxamide
PubChem CID118356315
Molecular FormulaC30H30F2N8O2
Molecular Weight572.62 g/mol
Exact Mass572.25
IUPAC Name5-[4-[4-[4-[3-(difluoromethoxy)phenyl]-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(-c6cccc(OC(F)F)c6)c(C)[nH]5)CC4)ncnc3[nH]2)cn1
InChIInChI=1S/C30H30F2N8O2/c1-17-24(18-5-4-6-20(13-18)42-29(31)32)39-28(37-17)30(2)9-11-40(12-10-30)26-21-14-23(38-25(21)35-16-36-26)19-7-8-22(34-15-19)27(41)33-3/h4-8,13-16,29H,9-12H2,1-3H3,(H,33,41)(H,37,39)(H,35,36,38)
InChIKeyCWUTVZGRDRKKQF-UHFFFAOYSA-N
XLogP5.24
TPSA124.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.62
LogP ≤ 55.24
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-[3-(difluoromethoxy)phenyl]-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-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methylpyridine-2-carboxamide (CID 118356315) is 5-[4-[4-[4-[3-(difluoromethoxy)phenyl]-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-[3-(difluoromethoxy)phenyl]-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-[3-(difluoromethoxy)phenyl]-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(-c6cccc(OC(F)F)c6)c(C)[nH]5)CC4)ncnc3[nH]2)cn1.
What is the InChIKey of 5-[4-[4-[4-[3-(difluoromethoxy)phenyl]-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 CWUTVZGRDRKKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F2N8O2/c1-17-24(18-5-4-6-20(13-18)42-29(31)32)39-28(37-17)30(2)9-11-40(12-10-30)26-21-14-23(38-25(21)35-16-36-26)19-7-8-22(34-15-19)27(41)33-3/h4-8,13-16,29H,9-12H2,1-3H3,(H,33,41)(H,37,39)(H,35,36,38).
What are the key properties of 5-[4-[4-[4-[3-(difluoromethoxy)phenyl]-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-[3-(difluoromethoxy)phenyl]-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 572.62 g/mol, XLogP of 5.24, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[4-[3-(difluoromethoxy)phenyl]-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 118356315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).