6-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C25H24F2N4O3 — CID 150639699

IUPAC6-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1ccc(-c2cn3nc(C(=O)N[C@@H](c4ccc(F)cc4)C(C)(C)O)c(C)c3c(=O)[nH]2)cc1F
InChIInChI=1S/C25H24F2N4O3/c1-13-5-6-16(11-18(13)27)19-12-31-21(24(33)28-19)14(2)20(30-31)23(32)29-22(25(3,4)34)15-7-9-17(26)10-8-15/h5-12,22,34H,1-4H3,(H,28,33)(H,29,32)/t22-/m0/s1
InChIKeyIZQHYADXKCRXED-QFIPXVFZSA-N
MW466.49 g/mol
LogP3.83
Rot. Bonds5

About 6-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

6-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 150639699) has the molecular formula C25H24F2N4O3 and a molecular weight of 466.49 g/mol. Its IUPAC name is 6-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID150639699
Molecular FormulaC25H24F2N4O3
Molecular Weight466.49 g/mol
Exact Mass466.18
IUPAC Name6-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1ccc(-c2cn3nc(C(=O)N[C@@H](c4ccc(F)cc4)C(C)(C)O)c(C)c3c(=O)[nH]2)cc1F
InChIInChI=1S/C25H24F2N4O3/c1-13-5-6-16(11-18(13)27)19-12-31-21(24(33)28-19)14(2)20(30-31)23(32)29-22(25(3,4)34)15-7-9-17(26)10-8-15/h5-12,22,34H,1-4H3,(H,28,33)(H,29,32)/t22-/m0/s1
InChIKeyIZQHYADXKCRXED-QFIPXVFZSA-N
XLogP3.83
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 6-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 150639699) is 6-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 6-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 6-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is Cc1ccc(-c2cn3nc(C(=O)N[C@@H](c4ccc(F)cc4)C(C)(C)O)c(C)c3c(=O)[nH]2)cc1F.
What is the InChIKey of 6-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is IZQHYADXKCRXED-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H24F2N4O3/c1-13-5-6-16(11-18(13)27)19-12-31-21(24(33)28-19)14(2)20(30-31)23(32)29-22(25(3,4)34)15-7-9-17(26)10-8-15/h5-12,22,34H,1-4H3,(H,28,33)(H,29,32)/t22-/m0/s1.
What are the key properties of 6-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
6-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 466.49 g/mol, XLogP of 3.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 150639699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).