N-[1-[3-[4-(difluoromethoxy)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-6,6-difluoro-4,5-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide

C31H26F8N4O2 — CID 123460159

IUPACN-[1-[3-[4-(difluoromethoxy)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-6,6-difluoro-4,5-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide
SMILESCC1c2c(C(F)F)nn(CC(=O)NC(Cc3cc(F)cc(F)c3)c3ncccc3-c3ccc(OC(F)F)cc3)c2C(F)(F)C1C
InChIInChI=1S/C31H26F8N4O2/c1-15-16(2)31(38,39)28-25(15)27(29(34)35)42-43(28)14-24(44)41-23(12-17-10-19(32)13-20(33)11-17)26-22(4-3-9-40-26)18-5-7-21(8-6-18)45-30(36)37/h3-11,13,15-16,23,29-30H,12,14H2,1-2H3,(H,41,44)
InChIKeyNWUINFMKSWNRFI-UHFFFAOYSA-N
MW638.56 g/mol
LogP7.71
Rot. Bonds10

About N-[1-[3-[4-(difluoromethoxy)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-6,6-difluoro-4,5-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide

N-[1-[3-[4-(difluoromethoxy)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-6,6-difluoro-4,5-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide (PubChem CID 123460159) has the molecular formula C31H26F8N4O2 and a molecular weight of 638.56 g/mol. Its IUPAC name is N-[1-[3-[4-(difluoromethoxy)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-6,6-difluoro-4,5-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-[3-[4-(difluoromethoxy)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-6,6-difluoro-4,5-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide
PubChem CID123460159
Molecular FormulaC31H26F8N4O2
Molecular Weight638.56 g/mol
Exact Mass638.19
IUPAC NameN-[1-[3-[4-(difluoromethoxy)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-6,6-difluoro-4,5-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide
SMILESCC1c2c(C(F)F)nn(CC(=O)NC(Cc3cc(F)cc(F)c3)c3ncccc3-c3ccc(OC(F)F)cc3)c2C(F)(F)C1C
InChIInChI=1S/C31H26F8N4O2/c1-15-16(2)31(38,39)28-25(15)27(29(34)35)42-43(28)14-24(44)41-23(12-17-10-19(32)13-20(33)11-17)26-22(4-3-9-40-26)18-5-7-21(8-6-18)45-30(36)37/h3-11,13,15-16,23,29-30H,12,14H2,1-2H3,(H,41,44)
InChIKeyNWUINFMKSWNRFI-UHFFFAOYSA-N
XLogP7.71
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.56
LogP ≤ 57.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[3-[4-(difluoromethoxy)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-6,6-difluoro-4,5-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide with MolForge

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Related Compounds

1-[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(3-pyridinylmethyl)methanamine
CID 16189779
4-[1-[2-[(3R)-3-aminopiperidin-1-yl]-2-oxoethyl]-4-(3-fluoro-4-methoxyphenyl)pyrazol-3-yl]-2-fluorobenzonitrile
CID 163604445
N-cyclopentyl-2-[8-fluoro-3-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-1-yl]acetamide
CID 16027259
N-(6,7-dimethoxy-1-phenyl-4H-indeno[2,3-d]pyrazol-4-yl)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 76314829
N-(6,7-dimethoxy-1-methyl-4H-indeno[2,3-d]pyrazol-4-yl)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 76318435
N-cyclopentyl-2-[3-(4-ethoxyphenyl)-8-fluoro-1H-pyrazolo[4,3-c]quinolin-1-yl]acetamide
CID 16027261
N-benzyl-2-[8-fluoro-3-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-1-yl]acetamide
CID 16027325
2-[8-fluoro-3-(4-methoxyphenyl)pyrazolo[4,3-c]quinolin-1-yl]-N-propylacetamide
CID 16027349
N-{3-[2-(4-fluorophenyl)ethoxy]benzyl}-2-(5-methyl-1H-pyrazol-1-yl)-N-(4-pyridinylmethyl)acetamide
CID 26282504
2-(5-methyl-1H-pyrazol-1-yl)-N-({2-[3-(trifluoromethyl)phenoxy]pyridin-3-yl}methyl)acetamide
CID 56749485
3-fluoro-5-methoxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]benzamide
CID 177050827
4-{[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methyl}-2-piperazinone
CID 25477043

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[4-(difluoromethoxy)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-6,6-difluoro-4,5-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide?
The IUPAC name of N-[1-[3-[4-(difluoromethoxy)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-6,6-difluoro-4,5-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide (CID 123460159) is N-[1-[3-[4-(difluoromethoxy)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-6,6-difluoro-4,5-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[1-[3-[4-(difluoromethoxy)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-6,6-difluoro-4,5-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide?
The canonical SMILES for N-[1-[3-[4-(difluoromethoxy)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-6,6-difluoro-4,5-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide is CC1c2c(C(F)F)nn(CC(=O)NC(Cc3cc(F)cc(F)c3)c3ncccc3-c3ccc(OC(F)F)cc3)c2C(F)(F)C1C.
What is the InChIKey of N-[1-[3-[4-(difluoromethoxy)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-6,6-difluoro-4,5-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide?
The InChIKey is NWUINFMKSWNRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26F8N4O2/c1-15-16(2)31(38,39)28-25(15)27(29(34)35)42-43(28)14-24(44)41-23(12-17-10-19(32)13-20(33)11-17)26-22(4-3-9-40-26)18-5-7-21(8-6-18)45-30(36)37/h3-11,13,15-16,23,29-30H,12,14H2,1-2H3,(H,41,44).
What are the key properties of N-[1-[3-[4-(difluoromethoxy)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-6,6-difluoro-4,5-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide?
N-[1-[3-[4-(difluoromethoxy)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-6,6-difluoro-4,5-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide has a molecular weight of 638.56 g/mol, XLogP of 7.71, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[4-(difluoromethoxy)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-6,6-difluoro-4,5-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide is sourced from PubChem (CID 123460159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).