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

C30H30F2N8O — CID 118413886

IUPAC5-[4-[4-[4-[4-(difluoromethyl)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(-c6ccc(C(F)F)cc6)c(C)[nH]5)CC4)ncnc3[nH]2)cn1
InChIInChI=1S/C30H30F2N8O/c1-17-24(18-4-6-19(7-5-18)25(31)32)39-29(37-17)30(2)10-12-40(13-11-30)27-21-14-23(38-26(21)35-16-36-27)20-8-9-22(34-15-20)28(41)33-3/h4-9,14-16,25H,10-13H2,1-3H3,(H,33,41)(H,37,39)(H,35,36,38)
InChIKeyHPLNVJVMCJLLSB-UHFFFAOYSA-N
MW556.62 g/mol
LogP5.57
Rot. Bonds6

About 5-[4-[4-[4-[4-(difluoromethyl)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-[4-(difluoromethyl)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 118413886) has the molecular formula C30H30F2N8O and a molecular weight of 556.62 g/mol. Its IUPAC name is 5-[4-[4-[4-[4-(difluoromethyl)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-[4-(difluoromethyl)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methylpyridine-2-carboxamide
PubChem CID118413886
Molecular FormulaC30H30F2N8O
Molecular Weight556.62 g/mol
Exact Mass556.25
IUPAC Name5-[4-[4-[4-[4-(difluoromethyl)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(-c6ccc(C(F)F)cc6)c(C)[nH]5)CC4)ncnc3[nH]2)cn1
InChIInChI=1S/C30H30F2N8O/c1-17-24(18-4-6-19(7-5-18)25(31)32)39-29(37-17)30(2)10-12-40(13-11-30)27-21-14-23(38-26(21)35-16-36-27)20-8-9-22(34-15-20)28(41)33-3/h4-9,14-16,25H,10-13H2,1-3H3,(H,33,41)(H,37,39)(H,35,36,38)
InChIKeyHPLNVJVMCJLLSB-UHFFFAOYSA-N
XLogP5.57
TPSA115.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.62
LogP ≤ 55.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[4-[4-[4-[4-(difluoromethyl)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methylpyridine-2-carboxamide 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 5-[4-[4-[4-[4-(difluoromethyl)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-[4-(difluoromethyl)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methylpyridine-2-carboxamide (CID 118413886) is 5-[4-[4-[4-[4-(difluoromethyl)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-[4-(difluoromethyl)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-[4-(difluoromethyl)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(-c6ccc(C(F)F)cc6)c(C)[nH]5)CC4)ncnc3[nH]2)cn1.
What is the InChIKey of 5-[4-[4-[4-[4-(difluoromethyl)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 HPLNVJVMCJLLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F2N8O/c1-17-24(18-4-6-19(7-5-18)25(31)32)39-29(37-17)30(2)10-12-40(13-11-30)27-21-14-23(38-26(21)35-16-36-27)20-8-9-22(34-15-20)28(41)33-3/h4-9,14-16,25H,10-13H2,1-3H3,(H,33,41)(H,37,39)(H,35,36,38).
What are the key properties of 5-[4-[4-[4-[4-(difluoromethyl)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-[4-(difluoromethyl)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 556.62 g/mol, XLogP of 5.57, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[4-[4-(difluoromethyl)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 118413886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).