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

C30H31FN8O2 — CID 118356322

IUPAC5-[4-[4-[4-(3-fluoro-4-methoxyphenyl)-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(F)c6)c(C)[nH]5)CC4)ncnc3[nH]2)cn1
InChIInChI=1S/C30H31FN8O2/c1-17-25(18-6-8-24(41-4)21(31)13-18)38-29(36-17)30(2)9-11-39(12-10-30)27-20-14-23(37-26(20)34-16-35-27)19-5-7-22(33-15-19)28(40)32-3/h5-8,13-16H,9-12H2,1-4H3,(H,32,40)(H,36,38)(H,34,35,37)
InChIKeyHNQHNDRPLOPEEO-UHFFFAOYSA-N
MW554.63 g/mol
LogP4.78
Rot. Bonds6

About 5-[4-[4-[4-(3-fluoro-4-methoxyphenyl)-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-fluoro-4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methylpyridine-2-carboxamide (PubChem CID 118356322) has the molecular formula C30H31FN8O2 and a molecular weight of 554.63 g/mol. Its IUPAC name is 5-[4-[4-[4-(3-fluoro-4-methoxyphenyl)-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-fluoro-4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methylpyridine-2-carboxamide
PubChem CID118356322
Molecular FormulaC30H31FN8O2
Molecular Weight554.63 g/mol
Exact Mass554.26
IUPAC Name5-[4-[4-[4-(3-fluoro-4-methoxyphenyl)-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(F)c6)c(C)[nH]5)CC4)ncnc3[nH]2)cn1
InChIInChI=1S/C30H31FN8O2/c1-17-25(18-6-8-24(41-4)21(31)13-18)38-29(36-17)30(2)9-11-39(12-10-30)27-20-14-23(37-26(20)34-16-35-27)19-5-7-22(33-15-19)28(40)32-3/h5-8,13-16H,9-12H2,1-4H3,(H,32,40)(H,36,38)(H,34,35,37)
InChIKeyHNQHNDRPLOPEEO-UHFFFAOYSA-N
XLogP4.78
TPSA124.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.63
LogP ≤ 54.78
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-fluoro-4-methoxyphenyl)-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-fluoro-4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methylpyridine-2-carboxamide (CID 118356322) is 5-[4-[4-[4-(3-fluoro-4-methoxyphenyl)-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-fluoro-4-methoxyphenyl)-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-fluoro-4-methoxyphenyl)-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(F)c6)c(C)[nH]5)CC4)ncnc3[nH]2)cn1.
What is the InChIKey of 5-[4-[4-[4-(3-fluoro-4-methoxyphenyl)-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 HNQHNDRPLOPEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN8O2/c1-17-25(18-6-8-24(41-4)21(31)13-18)38-29(36-17)30(2)9-11-39(12-10-30)27-20-14-23(37-26(20)34-16-35-27)19-5-7-22(33-15-19)28(40)32-3/h5-8,13-16H,9-12H2,1-4H3,(H,32,40)(H,36,38)(H,34,35,37).
What are the key properties of 5-[4-[4-[4-(3-fluoro-4-methoxyphenyl)-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-fluoro-4-methoxyphenyl)-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 554.63 g/mol, XLogP of 4.78, 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-(3-fluoro-4-methoxyphenyl)-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 118356322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).