4-[4-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(difluoromethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine

C26H24F4N8O — CID 118413930

IUPAC4-[4-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(difluoromethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1[nH]c(C2CCN(c3ncnc4[nH]c(-c5cnn(C(F)F)c5)cc34)CC2)nc1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C26H24F4N8O/c1-14-21(15-2-4-18(5-3-15)39-26(29)30)36-22(34-14)16-6-8-37(9-7-16)24-19-10-20(35-23(19)31-13-32-24)17-11-33-38(12-17)25(27)28/h2-5,10-13,16,25-26H,6-9H2,1H3,(H,34,36)(H,31,32,35)
InChIKeyNKXVUDIKPUJIHL-UHFFFAOYSA-N
MW540.53 g/mol
LogP5.90
Rot. Bonds7

About 4-[4-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(difluoromethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine

4-[4-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(difluoromethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 118413930) has the molecular formula C26H24F4N8O and a molecular weight of 540.53 g/mol. Its IUPAC name is 4-[4-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(difluoromethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(difluoromethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID118413930
Molecular FormulaC26H24F4N8O
Molecular Weight540.53 g/mol
Exact Mass540.20
IUPAC Name4-[4-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(difluoromethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1[nH]c(C2CCN(c3ncnc4[nH]c(-c5cnn(C(F)F)c5)cc34)CC2)nc1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C26H24F4N8O/c1-14-21(15-2-4-18(5-3-15)39-26(29)30)36-22(34-14)16-6-8-37(9-7-16)24-19-10-20(35-23(19)31-13-32-24)17-11-33-38(12-17)25(27)28/h2-5,10-13,16,25-26H,6-9H2,1H3,(H,34,36)(H,31,32,35)
InChIKeyNKXVUDIKPUJIHL-UHFFFAOYSA-N
XLogP5.90
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.53
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[4-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(difluoromethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine with MolForge

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Related Compounds

N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 24795070
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
Methyl substituted pyrazole, 27
CID 23648674
6-(4-methoxyphenyl)-7-propyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538784
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 36
CID 6538786
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 34
CID 6538787
7-(cyclopropylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538789
7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-fluorophenyl)-3-(3-methoxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 46879452
4-(Azetidin-1-yl)-5-[5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-4-yl]-7-methylimidazo[5,1-f][1,2,4]triazine
CID 68181996
6-[7-methoxy-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine
CID 134284285
N-((5-(3-(5-methoxy-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yl)methyl)ethanamine
CID 135497841
6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538770

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(difluoromethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-[4-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(difluoromethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine (CID 118413930) is 4-[4-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(difluoromethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(difluoromethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(difluoromethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine is Cc1[nH]c(C2CCN(c3ncnc4[nH]c(-c5cnn(C(F)F)c5)cc34)CC2)nc1-c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-[4-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(difluoromethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is NKXVUDIKPUJIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F4N8O/c1-14-21(15-2-4-18(5-3-15)39-26(29)30)36-22(34-14)16-6-8-37(9-7-16)24-19-10-20(35-23(19)31-13-32-24)17-11-33-38(12-17)25(27)28/h2-5,10-13,16,25-26H,6-9H2,1H3,(H,34,36)(H,31,32,35).
What are the key properties of 4-[4-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(difluoromethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine?
4-[4-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(difluoromethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 540.53 g/mol, XLogP of 5.90, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(difluoromethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 118413930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).