methyl 2-[(4R)-4-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate

C30H25F3N4O5 — CID 158902674

IUPACmethyl 2-[(4R)-4-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate
SMILESCOC(=O)c1c2c(nn1CC(=O)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(N)=O)c1)COC2
InChIInChI=1S/C30H25F3N4O5/c1-41-30(40)28-24-14-42-15-26(24)36-37(28)13-21(38)10-18(7-16-8-19(31)12-20(32)9-16)27-22(3-2-6-35-27)17-4-5-25(33)23(11-17)29(34)39/h2-6,8-9,11-12,18H,7,10,13-15H2,1H3,(H2,34,39)/t18-/m1/s1
InChIKeyUKVWMDOFKJRKPS-GOSISDBHSA-N
MW578.55 g/mol
LogP4.26
Rot. Bonds10

About methyl 2-[(4R)-4-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate

methyl 2-[(4R)-4-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate (PubChem CID 158902674) has the molecular formula C30H25F3N4O5 and a molecular weight of 578.55 g/mol. Its IUPAC name is methyl 2-[(4R)-4-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4R)-4-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate
PubChem CID158902674
Molecular FormulaC30H25F3N4O5
Molecular Weight578.55 g/mol
Exact Mass578.18
IUPAC Namemethyl 2-[(4R)-4-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate
SMILESCOC(=O)c1c2c(nn1CC(=O)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(N)=O)c1)COC2
InChIInChI=1S/C30H25F3N4O5/c1-41-30(40)28-24-14-42-15-26(24)36-37(28)13-21(38)10-18(7-16-8-19(31)12-20(32)9-16)27-22(3-2-6-35-27)17-4-5-25(33)23(11-17)29(34)39/h2-6,8-9,11-12,18H,7,10,13-15H2,1H3,(H2,34,39)/t18-/m1/s1
InChIKeyUKVWMDOFKJRKPS-GOSISDBHSA-N
XLogP4.26
TPSA126.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.55
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[(4R)-4-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate with MolForge

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Related Compounds

ethyl 3-[2-[[(1S)-1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]amino]-2-oxoethyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylate
CID 71185025
Methyl 2-[2-[[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-[2-(3,5-difluorophenyl)ethyl]amino]-2-oxoethyl]-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate
CID 71185137
Methyl 2-[2-[[2-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]amino]-2-oxoethyl]-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate
CID 71185139
1-[2-[[(1S)-1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]amino]-2-oxoethyl]-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylic acid
CID 71186804
1-[2-[[1-[3-(3-Carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]amino]-2-oxoethyl]-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylic acid
CID 71186811
Methyl 1-[2-[[1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]amino]-2-oxoethyl]-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylate
CID 71187103
(S)-methyl 1-(2-(1-(3-(3-carbamoyl-4-fluorophenyl)pyridin-2-yl)-2-(3,5-difluorophenyl)ethylamino)-2-oxoethyl)-4,6-dihydro-1H-furo[3,4-c]pyrazole-3-carboxylate
CID 71187104
methyl 2-[2-[[(1S)-1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]amino]-2-oxoethyl]-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate
CID 71204483
ethyl 5-butan-2-yl-1-[2-[[(1S)-1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]amino]-2-oxoethyl]-4-ethylpyrazole-3-carboxylate
CID 71204529
2-fluoro-5-[2-[(1S)-2-(3-fluorophenyl)-1-[[2-[5-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]pyridin-3-yl]benzamide
CID 71204575
Ethyl 3-[2-[[1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]amino]-2-oxoethyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylate
CID 78023720
Methyl 2-[2-[[1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]amino]-2-oxoethyl]-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate
CID 78035763

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4R)-4-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate?
The IUPAC name of methyl 2-[(4R)-4-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate (CID 158902674) is methyl 2-[(4R)-4-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate.
What is the SMILES notation for methyl 2-[(4R)-4-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate?
The canonical SMILES for methyl 2-[(4R)-4-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate is COC(=O)c1c2c(nn1CC(=O)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(N)=O)c1)COC2.
What is the InChIKey of methyl 2-[(4R)-4-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate?
The InChIKey is UKVWMDOFKJRKPS-GOSISDBHSA-N. The full InChI is InChI=1S/C30H25F3N4O5/c1-41-30(40)28-24-14-42-15-26(24)36-37(28)13-21(38)10-18(7-16-8-19(31)12-20(32)9-16)27-22(3-2-6-35-27)17-4-5-25(33)23(11-17)29(34)39/h2-6,8-9,11-12,18H,7,10,13-15H2,1H3,(H2,34,39)/t18-/m1/s1.
What are the key properties of methyl 2-[(4R)-4-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate?
methyl 2-[(4R)-4-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate has a molecular weight of 578.55 g/mol, XLogP of 4.26, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4R)-4-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate is sourced from PubChem (CID 158902674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).