7-[[4-[7-(1-hydroxyethyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-6-methyl-2-pyridinyl]methyl]-7-methyl-3-[2-[3-[(7S)-3-(2-methyl-4-pyridinyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-7-yl]propyl]-4-pyridinyl]-5-[4-(trifluoromethyl)phenyl]-6H-pyrazolo[1,5-a]pyrazin-4-one

C63H53F9N12O4 — CID 144753264

IUPAC7-[[4-[7-(1-hydroxyethyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-6-methyl-2-pyridinyl]methyl]-7-methyl-3-[2-[3-[(7S)-3-(2-methyl-4-pyridinyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-7-yl]propyl]-4-pyridinyl]-5-[4-(trifluoromethyl)phenyl]-6H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc(-c2cnn3c2C(=O)N(c2ccc(C(F)(F)F)cc2)C[C@@H]3CCCc2cc(-c3cnn4c3C(=O)N(c3ccc(C(F)(F)F)cc3)CC4(C)Cc3cc(-c4cnn5c4C(=O)N(c4ccc(C(F)(F)F)cc4)CC5C(C)O)cc(C)n3)ccn2)ccn1
InChIInChI=1S/C63H53F9N12O4/c1-35-24-38(20-22-73-35)50-29-75-82-49(32-79(57(86)54(50)82)46-14-8-41(9-15-46)61(64,65)66)7-5-6-44-26-39(21-23-74-44)51-31-77-84-56(51)59(88)81(48-18-12-43(13-19-48)63(70,71)72)34-60(84,4)28-45-27-40(25-36(2)78-45)52-30-76-83-53(37(3)85)33-80(58(87)55(52)83)47-16-10-42(11-17-47)62(67,68)69/h8-27,29-31,37,49,53,85H,5-7,28,32-34H2,1-4H3/t37?,49-,53?,60?/m0/s1
InChIKeyLFJIVSNBDUPTAM-LODXQEHNSA-N
MW1213.18 g/mol
LogP12.56
Rot. Bonds13

About 7-[[4-[7-(1-hydroxyethyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-6-methyl-2-pyridinyl]methyl]-7-methyl-3-[2-[3-[(7S)-3-(2-methyl-4-pyridinyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-7-yl]propyl]-4-pyridinyl]-5-[4-(trifluoromethyl)phenyl]-6H-pyrazolo[1,5-a]pyrazin-4-one

7-[[4-[7-(1-hydroxyethyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-6-methyl-2-pyridinyl]methyl]-7-methyl-3-[2-[3-[(7S)-3-(2-methyl-4-pyridinyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-7-yl]propyl]-4-pyridinyl]-5-[4-(trifluoromethyl)phenyl]-6H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 144753264) has the molecular formula C63H53F9N12O4 and a molecular weight of 1213.18 g/mol. Its IUPAC name is 7-[[4-[7-(1-hydroxyethyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-6-methyl-2-pyridinyl]methyl]-7-methyl-3-[2-[3-[(7S)-3-(2-methyl-4-pyridinyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-7-yl]propyl]-4-pyridinyl]-5-[4-(trifluoromethyl)phenyl]-6H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name7-[[4-[7-(1-hydroxyethyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-6-methyl-2-pyridinyl]methyl]-7-methyl-3-[2-[3-[(7S)-3-(2-methyl-4-pyridinyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-7-yl]propyl]-4-pyridinyl]-5-[4-(trifluoromethyl)phenyl]-6H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID144753264
Molecular FormulaC63H53F9N12O4
Molecular Weight1213.18 g/mol
Exact Mass1212.42
IUPAC Name7-[[4-[7-(1-hydroxyethyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-6-methyl-2-pyridinyl]methyl]-7-methyl-3-[2-[3-[(7S)-3-(2-methyl-4-pyridinyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-7-yl]propyl]-4-pyridinyl]-5-[4-(trifluoromethyl)phenyl]-6H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc(-c2cnn3c2C(=O)N(c2ccc(C(F)(F)F)cc2)C[C@@H]3CCCc2cc(-c3cnn4c3C(=O)N(c3ccc(C(F)(F)F)cc3)CC4(C)Cc3cc(-c4cnn5c4C(=O)N(c4ccc(C(F)(F)F)cc4)CC5C(C)O)cc(C)n3)ccn2)ccn1
InChIInChI=1S/C63H53F9N12O4/c1-35-24-38(20-22-73-35)50-29-75-82-49(32-79(57(86)54(50)82)46-14-8-41(9-15-46)61(64,65)66)7-5-6-44-26-39(21-23-74-44)51-31-77-84-56(51)59(88)81(48-18-12-43(13-19-48)63(70,71)72)34-60(84,4)28-45-27-40(25-36(2)78-45)52-30-76-83-53(37(3)85)33-80(58(87)55(52)83)47-16-10-42(11-17-47)62(67,68)69/h8-27,29-31,37,49,53,85H,5-7,28,32-34H2,1-4H3/t37?,49-,53?,60?/m0/s1
InChIKeyLFJIVSNBDUPTAM-LODXQEHNSA-N
XLogP12.56
TPSA173.29 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001213.18
LogP ≤ 512.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 7-[[4-[7-(1-hydroxyethyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-6-methyl-2-pyridinyl]methyl]-7-methyl-3-[2-[3-[(7S)-3-(2-methyl-4-pyridinyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-7-yl]propyl]-4-pyridinyl]-5-[4-(trifluoromethyl)phenyl]-6H-pyrazolo[1,5-a]pyrazin-4-one with MolForge

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Related Compounds

7-(Hydroxymethyl)-3-(2-methylpyridin-4-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 117821272
7-(1-Hydroxyethyl)-3-(2-methylpyridin-4-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 117823779
7-[[4-[7-(1-hydroxyethyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-6-methyl-2-pyridinyl]methyl]-7-methyl-3-[2-[3-[3-(2-methyl-4-pyridinyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-7-yl]propyl]-4-pyridinyl]-5-[4-(trifluoromethyl)phenyl]-6H-pyrazolo[1,5-a]pyrazin-4-one
CID 123949786
(4-Hydroxy-4-methylpiperidin-1-yl)-[3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone
CID 151089035
(4-Hydroxypiperidin-1-yl)-[3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone
CID 151823894
5-(5-amino-3-pyridinyl)-N-(3-benzylphenyl)-1H-indazole-3-carboxamide;N-(3-benzylphenyl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(3-benzylphenyl)-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-benzyl-3-pyridinyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-benzyl-3-pyridinyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 157350161
N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;N,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;N,N-dimethyl-4-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;N,N-dimethyl-6-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;4-[1-(2-hydroxyethyl)-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylpyridine-2-carboxamide
CID 157381613
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;bis(N-(3-fluorophenyl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide);N-(3-fluorophenyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157465602
8-[1-[3,5-difluoro-4-(trifluoromethyl)phenyl]-4-methyl-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[4-methyl-5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-3H-pyrrolo[3,2-b]pyridin-2-one;1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-pyrrolo[3,2-b]pyridin-2-one;8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1-(2,4,6-trifluorophenyl)-1,8-diazaspiro[4.5]decan-4-one
CID 157701145
4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N,N-dimethyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;N,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;N,N-dimethyl-4-[1-propyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;3-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;4-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide
CID 158308343
5-(5-amino-3-pyridinyl)-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 158346239
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(2-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 158384430

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[7-(1-hydroxyethyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-6-methyl-2-pyridinyl]methyl]-7-methyl-3-[2-[3-[(7S)-3-(2-methyl-4-pyridinyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-7-yl]propyl]-4-pyridinyl]-5-[4-(trifluoromethyl)phenyl]-6H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 7-[[4-[7-(1-hydroxyethyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-6-methyl-2-pyridinyl]methyl]-7-methyl-3-[2-[3-[(7S)-3-(2-methyl-4-pyridinyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-7-yl]propyl]-4-pyridinyl]-5-[4-(trifluoromethyl)phenyl]-6H-pyrazolo[1,5-a]pyrazin-4-one (CID 144753264) is 7-[[4-[7-(1-hydroxyethyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-6-methyl-2-pyridinyl]methyl]-7-methyl-3-[2-[3-[(7S)-3-(2-methyl-4-pyridinyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-7-yl]propyl]-4-pyridinyl]-5-[4-(trifluoromethyl)phenyl]-6H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 7-[[4-[7-(1-hydroxyethyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-6-methyl-2-pyridinyl]methyl]-7-methyl-3-[2-[3-[(7S)-3-(2-methyl-4-pyridinyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-7-yl]propyl]-4-pyridinyl]-5-[4-(trifluoromethyl)phenyl]-6H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 7-[[4-[7-(1-hydroxyethyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-6-methyl-2-pyridinyl]methyl]-7-methyl-3-[2-[3-[(7S)-3-(2-methyl-4-pyridinyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-7-yl]propyl]-4-pyridinyl]-5-[4-(trifluoromethyl)phenyl]-6H-pyrazolo[1,5-a]pyrazin-4-one is Cc1cc(-c2cnn3c2C(=O)N(c2ccc(C(F)(F)F)cc2)C[C@@H]3CCCc2cc(-c3cnn4c3C(=O)N(c3ccc(C(F)(F)F)cc3)CC4(C)Cc3cc(-c4cnn5c4C(=O)N(c4ccc(C(F)(F)F)cc4)CC5C(C)O)cc(C)n3)ccn2)ccn1.
What is the InChIKey of 7-[[4-[7-(1-hydroxyethyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-6-methyl-2-pyridinyl]methyl]-7-methyl-3-[2-[3-[(7S)-3-(2-methyl-4-pyridinyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-7-yl]propyl]-4-pyridinyl]-5-[4-(trifluoromethyl)phenyl]-6H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is LFJIVSNBDUPTAM-LODXQEHNSA-N. The full InChI is InChI=1S/C63H53F9N12O4/c1-35-24-38(20-22-73-35)50-29-75-82-49(32-79(57(86)54(50)82)46-14-8-41(9-15-46)61(64,65)66)7-5-6-44-26-39(21-23-74-44)51-31-77-84-56(51)59(88)81(48-18-12-43(13-19-48)63(70,71)72)34-60(84,4)28-45-27-40(25-36(2)78-45)52-30-76-83-53(37(3)85)33-80(58(87)55(52)83)47-16-10-42(11-17-47)62(67,68)69/h8-27,29-31,37,49,53,85H,5-7,28,32-34H2,1-4H3/t37?,49-,53?,60?/m0/s1.
What are the key properties of 7-[[4-[7-(1-hydroxyethyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-6-methyl-2-pyridinyl]methyl]-7-methyl-3-[2-[3-[(7S)-3-(2-methyl-4-pyridinyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-7-yl]propyl]-4-pyridinyl]-5-[4-(trifluoromethyl)phenyl]-6H-pyrazolo[1,5-a]pyrazin-4-one?
7-[[4-[7-(1-hydroxyethyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-6-methyl-2-pyridinyl]methyl]-7-methyl-3-[2-[3-[(7S)-3-(2-methyl-4-pyridinyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-7-yl]propyl]-4-pyridinyl]-5-[4-(trifluoromethyl)phenyl]-6H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 1213.18 g/mol, XLogP of 12.56, 13 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[7-(1-hydroxyethyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-6-methyl-2-pyridinyl]methyl]-7-methyl-3-[2-[3-[(7S)-3-(2-methyl-4-pyridinyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-7-yl]propyl]-4-pyridinyl]-5-[4-(trifluoromethyl)phenyl]-6H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 144753264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).