4-[4-[4-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-[4-(methylsulfonylmethyl)phenyl]-7H-cyclopenta[d]pyrimidine

C32H33F2N5O3S — CID 147622300

IUPAC4-[4-[4-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-[4-(methylsulfonylmethyl)phenyl]-7H-cyclopenta[d]pyrimidine
SMILESCc1[nH]c(C2(C)CCN(c3ncnc4c3C=C(c3ccc(CS(C)(=O)=O)cc3)C4)CC2)nc1-c1cccc(OC(F)F)c1
InChIInChI=1S/C32H33F2N5O3S/c1-20-28(23-5-4-6-25(15-23)42-31(33)34)38-30(37-20)32(2)11-13-39(14-12-32)29-26-16-24(17-27(26)35-19-36-29)22-9-7-21(8-10-22)18-43(3,40)41/h4-10,15-16,19,31H,11-14,17-18H2,1-3H3,(H,37,38)
InChIKeyGECKRZWARRCVEQ-UHFFFAOYSA-N
MW605.71 g/mol
LogP5.98
Rot. Bonds8

About 4-[4-[4-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-[4-(methylsulfonylmethyl)phenyl]-7H-cyclopenta[d]pyrimidine

4-[4-[4-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-[4-(methylsulfonylmethyl)phenyl]-7H-cyclopenta[d]pyrimidine (PubChem CID 147622300) has the molecular formula C32H33F2N5O3S and a molecular weight of 605.71 g/mol. Its IUPAC name is 4-[4-[4-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-[4-(methylsulfonylmethyl)phenyl]-7H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-[4-[4-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-[4-(methylsulfonylmethyl)phenyl]-7H-cyclopenta[d]pyrimidine
PubChem CID147622300
Molecular FormulaC32H33F2N5O3S
Molecular Weight605.71 g/mol
Exact Mass605.23
IUPAC Name4-[4-[4-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-[4-(methylsulfonylmethyl)phenyl]-7H-cyclopenta[d]pyrimidine
SMILESCc1[nH]c(C2(C)CCN(c3ncnc4c3C=C(c3ccc(CS(C)(=O)=O)cc3)C4)CC2)nc1-c1cccc(OC(F)F)c1
InChIInChI=1S/C32H33F2N5O3S/c1-20-28(23-5-4-6-25(15-23)42-31(33)34)38-30(37-20)32(2)11-13-39(14-12-32)29-26-16-24(17-27(26)35-19-36-29)22-9-7-21(8-10-22)18-43(3,40)41/h4-10,15-16,19,31H,11-14,17-18H2,1-3H3,(H,37,38)
InChIKeyGECKRZWARRCVEQ-UHFFFAOYSA-N
XLogP5.98
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.71
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-fluoro-N-[2-[[4-[4-(3-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide
CID 162643967
N-[3-[[4-[4-(3-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]propyl]-4-(trifluoromethyl)benzenesulfonamide
CID 162651508
3-fluoro-N-[3-[[4-[4-(4-fluoro-3-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide
CID 162664576
3-fluoro-N-[3-[[4-[4-(3-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]propyl]benzenesulfonamide
CID 162665702
N-[2-[[4-[4-(3-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 162671738
4-fluoro-N-[3-[[4-[4-(3-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]propyl]benzenesulfonamide
CID 162672726
3-fluoro-N-[2-[[4-[4-(3-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide
CID 162673189
4-[4-[4-[5-[3-(difluoromethoxy)phenyl]-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzonitrile
CID 118356303
6-(4-fluorophenyl)-4-[4-[4-methyl-5-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 118356342
4-[4-[4-[5-(3-methoxyphenyl)-4-(trifluoromethyl)-1H-imidazol-2-yl]-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzonitrile
CID 118413868
N-[4-[4-[4-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide
CID 118413875
N-[4-[4-[4-[5-[3-(difluoromethoxy)phenyl]-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide
CID 118413877

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-[4-(methylsulfonylmethyl)phenyl]-7H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-[4-[4-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-[4-(methylsulfonylmethyl)phenyl]-7H-cyclopenta[d]pyrimidine (CID 147622300) is 4-[4-[4-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-[4-(methylsulfonylmethyl)phenyl]-7H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-[4-[4-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-[4-(methylsulfonylmethyl)phenyl]-7H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-[4-[4-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-[4-(methylsulfonylmethyl)phenyl]-7H-cyclopenta[d]pyrimidine is Cc1[nH]c(C2(C)CCN(c3ncnc4c3C=C(c3ccc(CS(C)(=O)=O)cc3)C4)CC2)nc1-c1cccc(OC(F)F)c1.
What is the InChIKey of 4-[4-[4-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-[4-(methylsulfonylmethyl)phenyl]-7H-cyclopenta[d]pyrimidine?
The InChIKey is GECKRZWARRCVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F2N5O3S/c1-20-28(23-5-4-6-25(15-23)42-31(33)34)38-30(37-20)32(2)11-13-39(14-12-32)29-26-16-24(17-27(26)35-19-36-29)22-9-7-21(8-10-22)18-43(3,40)41/h4-10,15-16,19,31H,11-14,17-18H2,1-3H3,(H,37,38).
What are the key properties of 4-[4-[4-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-[4-(methylsulfonylmethyl)phenyl]-7H-cyclopenta[d]pyrimidine?
4-[4-[4-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-[4-(methylsulfonylmethyl)phenyl]-7H-cyclopenta[d]pyrimidine has a molecular weight of 605.71 g/mol, XLogP of 5.98, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-[4-(methylsulfonylmethyl)phenyl]-7H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 147622300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).