4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid;2-[4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexyl]acetic acid;methane

C49H66F2N6O6 — CID 157277803

IUPAC4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid;2-[4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexyl]acetic acid;methane
SMILESC.C.Cc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCC(C(=O)O)CC1)C2.Cc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCC(CC(=O)O)CC1)C2
InChIInChI=1S/C24H30FN3O3.C23H28FN3O3.2CH4/c1-16-21-10-11-27(23(29)12-17-2-4-18(5-3-17)13-24(30)31)15-22(21)28(26-16)14-19-6-8-20(25)9-7-19;1-15-20-10-11-26(22(28)12-16-2-6-18(7-3-16)23(29)30)14-21(20)27(25-15)13-17-4-8-19(24)9-5-17;;/h6-9,17-18H,2-5,10-15H2,1H3,(H,30,31);4-5,8-9,16,18H,2-3,6-7,10-14H2,1H3,(H,29,30);2*1H4
InChIKeyAZHQDGGOGFZWKT-UHFFFAOYSA-N
MW873.10 g/mol
LogP8.75
Rot. Bonds11

About 4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid;2-[4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexyl]acetic acid;methane

4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid;2-[4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexyl]acetic acid;methane (PubChem CID 157277803) has the molecular formula C49H66F2N6O6 and a molecular weight of 873.10 g/mol. Its IUPAC name is 4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid;2-[4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexyl]acetic acid;methane.

Molecular Properties

Compound Name4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid;2-[4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexyl]acetic acid;methane
PubChem CID157277803
Molecular FormulaC49H66F2N6O6
Molecular Weight873.10 g/mol
Exact Mass872.50
IUPAC Name4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid;2-[4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexyl]acetic acid;methane
SMILESC.C.Cc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCC(C(=O)O)CC1)C2.Cc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCC(CC(=O)O)CC1)C2
InChIInChI=1S/C24H30FN3O3.C23H28FN3O3.2CH4/c1-16-21-10-11-27(23(29)12-17-2-4-18(5-3-17)13-24(30)31)15-22(21)28(26-16)14-19-6-8-20(25)9-7-19;1-15-20-10-11-26(22(28)12-16-2-6-18(7-3-16)23(29)30)14-21(20)27(25-15)13-17-4-8-19(24)9-5-17;;/h6-9,17-18H,2-5,10-15H2,1H3,(H,30,31);4-5,8-9,16,18H,2-3,6-7,10-14H2,1H3,(H,29,30);2*1H4
InChIKeyAZHQDGGOGFZWKT-UHFFFAOYSA-N
XLogP8.75
TPSA150.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.10
LogP ≤ 58.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid;2-[4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexyl]acetic acid;methane with MolForge

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Related Compounds

[3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-cyclohexyl-acetic acid
CID 516294
(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[2-ethyl-5-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-piperidyl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]acetic acid
CID 516296
(2R)-Cyclohexyl[(3S,4S)-3-({4-[3-(3,5-difluorobenzyl)-1-ethyl-1H-pyrazol-5-yl]piperidin-1-yl}methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl]acetic acid
CID 516298
(2R)-Cyclohexyl[(3S,4S)-3-({4-[3-(2,4-difluorobenzyl)-1-ethyl-1H-pyrazol-5-yl]piperidin-1-yl}methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl]acetic acid
CID 516299
(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[2-ethyl-5-[(4-phenylphenyl)methyl]pyrazol-3-yl]-1-piperidyl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]acetic acid
CID 516314
(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[2-ethyl-5-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-piperidyl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]acetic acid
CID 516295
Cyclohexyl-[3-[4-(2-ethyl-5-phenethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-acetic acid
CID 516353
1-[[(3S,4S)-3-[[4-(5-benzyl-2-ethyl-pyrazol-3-yl)-1-piperidyl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]methyl]cyclohexanecarboxylic acid
CID 512890
(2R)-Cyclohexyl[(3S,4S)-3-({4-[1-ethyl-3-(2-fluorobenzyl)-1H-pyrazol-5-yl]piperidin-1-yl}methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl]acetic acid
CID 516297
1-[[(3S,4S)-3-[[4-(2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]methyl]cyclopentane-1-carboxylic acid
CID 9807218
(1R,5R)-3-[[(3S,4S)-3-(3,5-difluorophenyl)-4-[[4-(2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]methyl]bicyclo[3.1.0]hexane-3-carboxylic acid
CID 10120575
1-[[(3S,4S)-3-[[4-(2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 10143972

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid;2-[4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexyl]acetic acid;methane?
The IUPAC name of 4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid;2-[4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexyl]acetic acid;methane (CID 157277803) is 4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid;2-[4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexyl]acetic acid;methane.
What is the SMILES notation for 4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid;2-[4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexyl]acetic acid;methane?
The canonical SMILES for 4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid;2-[4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexyl]acetic acid;methane is C.C.Cc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCC(C(=O)O)CC1)C2.Cc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCC(CC(=O)O)CC1)C2.
What is the InChIKey of 4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid;2-[4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexyl]acetic acid;methane?
The InChIKey is AZHQDGGOGFZWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O3.C23H28FN3O3.2CH4/c1-16-21-10-11-27(23(29)12-17-2-4-18(5-3-17)13-24(30)31)15-22(21)28(26-16)14-19-6-8-20(25)9-7-19;1-15-20-10-11-26(22(28)12-16-2-6-18(7-3-16)23(29)30)14-21(20)27(25-15)13-17-4-8-19(24)9-5-17;;/h6-9,17-18H,2-5,10-15H2,1H3,(H,30,31);4-5,8-9,16,18H,2-3,6-7,10-14H2,1H3,(H,29,30);2*1H4.
What are the key properties of 4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid;2-[4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexyl]acetic acid;methane?
4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid;2-[4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexyl]acetic acid;methane has a molecular weight of 873.10 g/mol, XLogP of 8.75, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid;2-[4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexyl]acetic acid;methane is sourced from PubChem (CID 157277803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).