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

C30H26F6N4O2 — CID 90162466

IUPAC2-[3-(difluoromethyl)-6,6-difluoro-4,5-dihydrocyclopenta[d]pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-(methoxymethyl)phenyl]-2-pyridinyl]ethyl]acetamide
SMILESCOCc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CC3)cc1
InChIInChI=1S/C30H26F6N4O2/c1-42-16-17-4-6-19(7-5-17)22-3-2-10-37-26(22)24(13-18-11-20(31)14-21(32)12-18)38-25(41)15-40-28-23(8-9-30(28,35)36)27(39-40)29(33)34/h2-7,10-12,14,24,29H,8-9,13,15-16H2,1H3,(H,38,41)/t24-/m0/s1
InChIKeyKLEVXAKQGGPKSH-DEOSSOPVSA-N
MW588.55 g/mol
LogP6.45
Rot. Bonds10

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

2-[3-(difluoromethyl)-6,6-difluoro-4,5-dihydrocyclopenta[d]pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-(methoxymethyl)phenyl]-2-pyridinyl]ethyl]acetamide (PubChem CID 90162466) has the molecular formula C30H26F6N4O2 and a molecular weight of 588.55 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-6,6-difluoro-4,5-dihydrocyclopenta[d]pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-(methoxymethyl)phenyl]-2-pyridinyl]ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-6,6-difluoro-4,5-dihydrocyclopenta[d]pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-(methoxymethyl)phenyl]-2-pyridinyl]ethyl]acetamide
PubChem CID90162466
Molecular FormulaC30H26F6N4O2
Molecular Weight588.55 g/mol
Exact Mass588.20
IUPAC Name2-[3-(difluoromethyl)-6,6-difluoro-4,5-dihydrocyclopenta[d]pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-(methoxymethyl)phenyl]-2-pyridinyl]ethyl]acetamide
SMILESCOCc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CC3)cc1
InChIInChI=1S/C30H26F6N4O2/c1-42-16-17-4-6-19(7-5-17)22-3-2-10-37-26(22)24(13-18-11-20(31)14-21(32)12-18)38-25(41)15-40-28-23(8-9-30(28,35)36)27(39-40)29(33)34/h2-7,10-12,14,24,29H,8-9,13,15-16H2,1H3,(H,38,41)/t24-/m0/s1
InChIKeyKLEVXAKQGGPKSH-DEOSSOPVSA-N
XLogP6.45
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.55
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-(2-(3-(4-Fluorophenyl)-1-phenyl-1h-pyrazol-4-yl)-5-(pyridin-4-yl)-1,3,4-oxadiazol-3(2h)-yl)ethanone
CID 129883886
benzyl N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]carbamate
CID 22953951
benzyl (2S)-4-[2-(1-phenylpyrazol-3-yl)propan-2-yl]-2-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylate
CID 59108792
N-benzyloxycarbonyl-5-aminomethyl-4-(4-pyridyl)-3-(4-fluorophenyl)pyrazole
CID 69409299
Methyl 3-[2-[2-(3,5-difluorophenyl)-2-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]benzoate
CID 71185081
N-[2-(3,5-difluorophenyl)-2-[3-(4-methoxyphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 71185433
N-[(1S)-2-(3-fluorophenyl)-1-[3-(4-methoxyphenyl)pyridin-2-yl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 71186782
N-[2-(3-fluorophenyl)-1-[3-(4-methoxyphenyl)pyridin-2-yl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 71186784
N-[(1R)-1-[3-(4-methoxyphenyl)pyridin-2-yl]-2-phenylethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 71186837
N-[1-[3-(4-methoxyphenyl)pyridin-2-yl]-2-phenylethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 71186838
N-[(1S)-1-[3-(4-methoxyphenyl)pyridin-2-yl]-2-phenylethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 71186866
N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methoxyphenyl)pyridin-2-yl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 71204419

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-6,6-difluoro-4,5-dihydrocyclopenta[d]pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-(methoxymethyl)phenyl]-2-pyridinyl]ethyl]acetamide?
The IUPAC name of 2-[3-(difluoromethyl)-6,6-difluoro-4,5-dihydrocyclopenta[d]pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-(methoxymethyl)phenyl]-2-pyridinyl]ethyl]acetamide (CID 90162466) is 2-[3-(difluoromethyl)-6,6-difluoro-4,5-dihydrocyclopenta[d]pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-(methoxymethyl)phenyl]-2-pyridinyl]ethyl]acetamide.
What is the SMILES notation for 2-[3-(difluoromethyl)-6,6-difluoro-4,5-dihydrocyclopenta[d]pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-(methoxymethyl)phenyl]-2-pyridinyl]ethyl]acetamide?
The canonical SMILES for 2-[3-(difluoromethyl)-6,6-difluoro-4,5-dihydrocyclopenta[d]pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-(methoxymethyl)phenyl]-2-pyridinyl]ethyl]acetamide is COCc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CC3)cc1.
What is the InChIKey of 2-[3-(difluoromethyl)-6,6-difluoro-4,5-dihydrocyclopenta[d]pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-(methoxymethyl)phenyl]-2-pyridinyl]ethyl]acetamide?
The InChIKey is KLEVXAKQGGPKSH-DEOSSOPVSA-N. The full InChI is InChI=1S/C30H26F6N4O2/c1-42-16-17-4-6-19(7-5-17)22-3-2-10-37-26(22)24(13-18-11-20(31)14-21(32)12-18)38-25(41)15-40-28-23(8-9-30(28,35)36)27(39-40)29(33)34/h2-7,10-12,14,24,29H,8-9,13,15-16H2,1H3,(H,38,41)/t24-/m0/s1.
What are the key properties of 2-[3-(difluoromethyl)-6,6-difluoro-4,5-dihydrocyclopenta[d]pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-(methoxymethyl)phenyl]-2-pyridinyl]ethyl]acetamide?
2-[3-(difluoromethyl)-6,6-difluoro-4,5-dihydrocyclopenta[d]pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-(methoxymethyl)phenyl]-2-pyridinyl]ethyl]acetamide has a molecular weight of 588.55 g/mol, XLogP of 6.45, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-6,6-difluoro-4,5-dihydrocyclopenta[d]pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-(methoxymethyl)phenyl]-2-pyridinyl]ethyl]acetamide is sourced from PubChem (CID 90162466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).