N-[(1R)-1,2-diphenylethyl]-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

C28H25FN4O2 — CID 93006117

IUPACN-[(1R)-1,2-diphenylethyl]-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(N[C@H](Cc1ccccc1)c1ccccc1)c1cc2n(n1)CCN(Cc1ccccc1F)C2=O
InChIInChI=1S/C28H25FN4O2/c29-23-14-8-7-13-22(23)19-32-15-16-33-26(28(32)35)18-25(31-33)27(34)30-24(21-11-5-2-6-12-21)17-20-9-3-1-4-10-20/h1-14,18,24H,15-17,19H2,(H,30,34)/t24-/m1/s1
InChIKeyVQKHQCMKKPQPRU-XMMPIXPASA-N
MW468.53 g/mol
LogP4.39
Rot. Bonds7

About N-[(1R)-1,2-diphenylethyl]-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

N-[(1R)-1,2-diphenylethyl]-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 93006117) has the molecular formula C28H25FN4O2 and a molecular weight of 468.53 g/mol. Its IUPAC name is N-[(1R)-1,2-diphenylethyl]-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1,2-diphenylethyl]-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID93006117
Molecular FormulaC28H25FN4O2
Molecular Weight468.53 g/mol
Exact Mass468.20
IUPAC NameN-[(1R)-1,2-diphenylethyl]-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(N[C@H](Cc1ccccc1)c1ccccc1)c1cc2n(n1)CCN(Cc1ccccc1F)C2=O
InChIInChI=1S/C28H25FN4O2/c29-23-14-8-7-13-22(23)19-32-15-16-33-26(28(32)35)18-25(31-33)27(34)30-24(21-11-5-2-6-12-21)17-20-9-3-1-4-10-20/h1-14,18,24H,15-17,19H2,(H,30,34)/t24-/m1/s1
InChIKeyVQKHQCMKKPQPRU-XMMPIXPASA-N
XLogP4.39
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclopropylmethyl)-N-(1,2-diphenylethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077462
N-butan-2-yl-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 24715546
5-[(2-fluorophenyl)methyl]-N-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42876400
5-benzyl-4-oxo-N-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077090
5-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 24716003
N-benzyl-5-[(2-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077529
5-[(2,6-dichlorophenyl)methyl]-4-oxo-N-[(2R)-4-phenylbutan-2-yl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 93006238
2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5-[(2-fluorophenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46077212
5-[(2-fluorophenyl)methyl]-2-(4-piperidin-1-ylpiperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46078746
5-benzyl-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 46049845
5-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
CID 155912597
4-oxo-5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
CID 155916193

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1,2-diphenylethyl]-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-[(1R)-1,2-diphenylethyl]-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (CID 93006117) is N-[(1R)-1,2-diphenylethyl]-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1R)-1,2-diphenylethyl]-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[(1R)-1,2-diphenylethyl]-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1cc2n(n1)CCN(Cc1ccccc1F)C2=O.
What is the InChIKey of N-[(1R)-1,2-diphenylethyl]-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is VQKHQCMKKPQPRU-XMMPIXPASA-N. The full InChI is InChI=1S/C28H25FN4O2/c29-23-14-8-7-13-22(23)19-32-15-16-33-26(28(32)35)18-25(31-33)27(34)30-24(21-11-5-2-6-12-21)17-20-9-3-1-4-10-20/h1-14,18,24H,15-17,19H2,(H,30,34)/t24-/m1/s1.
What are the key properties of N-[(1R)-1,2-diphenylethyl]-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
N-[(1R)-1,2-diphenylethyl]-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 468.53 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1,2-diphenylethyl]-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 93006117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).