N-[2-fluoro-4-[5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methylphenyl]acetamide

C32H32F5N5O2 — CID 163581277

IUPACN-[2-fluoro-4-[5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(C)c(-c2c3c(nn2-c2c(C)cccc2OCC(C)C)CCN(c2ncc(C(F)(F)F)cc2F)C3)cc1F
InChIInChI=1S/C32H32F5N5O2/c1-17(2)16-44-28-8-6-7-18(3)29(28)42-30(22-13-24(33)27(11-19(22)4)39-20(5)43)23-15-41(10-9-26(23)40-42)31-25(34)12-21(14-38-31)32(35,36)37/h6-8,11-14,17H,9-10,15-16H2,1-5H3,(H,39,43)
InChIKeyQQQYKJNBTKZRJH-UHFFFAOYSA-N
MW613.63 g/mol
LogP7.40
Rot. Bonds7

About N-[2-fluoro-4-[5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methylphenyl]acetamide

N-[2-fluoro-4-[5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methylphenyl]acetamide (PubChem CID 163581277) has the molecular formula C32H32F5N5O2 and a molecular weight of 613.63 g/mol. Its IUPAC name is N-[2-fluoro-4-[5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methylphenyl]acetamide
PubChem CID163581277
Molecular FormulaC32H32F5N5O2
Molecular Weight613.63 g/mol
Exact Mass613.25
IUPAC NameN-[2-fluoro-4-[5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(C)c(-c2c3c(nn2-c2c(C)cccc2OCC(C)C)CCN(c2ncc(C(F)(F)F)cc2F)C3)cc1F
InChIInChI=1S/C32H32F5N5O2/c1-17(2)16-44-28-8-6-7-18(3)29(28)42-30(22-13-24(33)27(11-19(22)4)39-20(5)43)23-15-41(10-9-26(23)40-42)31-25(34)12-21(14-38-31)32(35,36)37/h6-8,11-14,17H,9-10,15-16H2,1-5H3,(H,39,43)
InChIKeyQQQYKJNBTKZRJH-UHFFFAOYSA-N
XLogP7.40
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.63
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-fluoro-4-[5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methylphenyl]acetamide with MolForge

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Related Compounds

N-(4-((4-(3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)ureido)naphthalen-1-yloxy)methyl)pyridin-2-yl)-2-morpholinoacetamide
CID 45257075
US9555022, Example 02.33
CID 54770358
2-((8-amino-7-fluoro-6-(5-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)isoquinolin-3-yl)amino)-6-methyl-5,6-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7(8H)-one
CID 135342633
N-[3,5-bis(trifluoromethyl)phenyl]-4-[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]piperazine-1-carboxamide
CID 168275733
4-[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 168275936
N-(3-fluoro-2-pyridinyl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
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2-[1-(4-ethoxy-2,6-difluorobenzyl)-4-methyl-1H-indazol-3-yl]-5-methoxy-N-(pyridin-4-yl)pyrimidin-4-amine
CID 86732474
1-[4-[[2-Isocyano-4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-4-pyridinyl]phenoxy]methyl]piperidin-1-yl]ethanone
CID 91801109
[4-[5-(3,5-dichloro-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea
CID 138698555
[2-fluoro-4-[5-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methylphenyl]urea
CID 139296245
[2,5-difluoro-4-[5-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea
CID 139296246
[2,5-difluoro-4-[2-[2-methyl-6-(2-methylpropoxy)phenyl]-5-(2-propan-2-ylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea
CID 139296264

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methylphenyl]acetamide?
The IUPAC name of N-[2-fluoro-4-[5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methylphenyl]acetamide (CID 163581277) is N-[2-fluoro-4-[5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methylphenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-4-[5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methylphenyl]acetamide?
The canonical SMILES for N-[2-fluoro-4-[5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methylphenyl]acetamide is CC(=O)Nc1cc(C)c(-c2c3c(nn2-c2c(C)cccc2OCC(C)C)CCN(c2ncc(C(F)(F)F)cc2F)C3)cc1F.
What is the InChIKey of N-[2-fluoro-4-[5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methylphenyl]acetamide?
The InChIKey is QQQYKJNBTKZRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F5N5O2/c1-17(2)16-44-28-8-6-7-18(3)29(28)42-30(22-13-24(33)27(11-19(22)4)39-20(5)43)23-15-41(10-9-26(23)40-42)31-25(34)12-21(14-38-31)32(35,36)37/h6-8,11-14,17H,9-10,15-16H2,1-5H3,(H,39,43).
What are the key properties of N-[2-fluoro-4-[5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methylphenyl]acetamide?
N-[2-fluoro-4-[5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methylphenyl]acetamide has a molecular weight of 613.63 g/mol, XLogP of 7.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methylphenyl]acetamide is sourced from PubChem (CID 163581277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).