2-(3-fluorophenyl)-5-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

C24H21FN6O2S — CID 122650906

IUPAC2-(3-fluorophenyl)-5-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCc1nc(-c2ccc(NC(=O)N3CCn4nc(-c5cccc(F)c5)c(C(N)=O)c4C3)cc2)cs1
InChIInChI=1S/C24H21FN6O2S/c1-14-27-19(13-34-14)15-5-7-18(8-6-15)28-24(33)30-9-10-31-20(12-30)21(23(26)32)22(29-31)16-3-2-4-17(25)11-16/h2-8,11,13H,9-10,12H2,1H3,(H2,26,32)(H,28,33)
InChIKeyMSBHFANACZSKFI-UHFFFAOYSA-N
MW476.54 g/mol
LogP4.27
Rot. Bonds4

About 2-(3-fluorophenyl)-5-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

2-(3-fluorophenyl)-5-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 122650906) has the molecular formula C24H21FN6O2S and a molecular weight of 476.54 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID122650906
Molecular FormulaC24H21FN6O2S
Molecular Weight476.54 g/mol
Exact Mass476.14
IUPAC Name2-(3-fluorophenyl)-5-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCc1nc(-c2ccc(NC(=O)N3CCn4nc(-c5cccc(F)c5)c(C(N)=O)c4C3)cc2)cs1
InChIInChI=1S/C24H21FN6O2S/c1-14-27-19(13-34-14)15-5-7-18(8-6-15)28-24(33)30-9-10-31-20(12-30)21(23(26)32)22(29-31)16-3-2-4-17(25)11-16/h2-8,11,13H,9-10,12H2,1H3,(H2,26,32)(H,28,33)
InChIKeyMSBHFANACZSKFI-UHFFFAOYSA-N
XLogP4.27
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-fluorophenyl)-5-N-(4-phenylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061928
2-(3-fluorophenyl)-5-N-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062371
5-N-(4-cyano-3-methylphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118085544
5-N-[3,5-bis(trifluoromethyl)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118087150
2-(3-chlorophenyl)-5-N-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061426
5-N-(2,4-difluorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118069162
5-N-(2-chloro-4-fluorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118069163
2-(3-fluorophenyl)-5-N-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061876
5-N-(1-adamantyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118069155
5-N-(3,4-dichlorophenyl)-2-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118085583
5-N-(4-cyanophenyl)-2-(4-fluoro-3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122650856
2-(3-chlorophenyl)-5-N-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062081

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-fluorophenyl)-5-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 122650906) is 2-(3-fluorophenyl)-5-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-5-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-5-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is Cc1nc(-c2ccc(NC(=O)N3CCn4nc(-c5cccc(F)c5)c(C(N)=O)c4C3)cc2)cs1.
What is the InChIKey of 2-(3-fluorophenyl)-5-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is MSBHFANACZSKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O2S/c1-14-27-19(13-34-14)15-5-7-18(8-6-15)28-24(33)30-9-10-31-20(12-30)21(23(26)32)22(29-31)16-3-2-4-17(25)11-16/h2-8,11,13H,9-10,12H2,1H3,(H2,26,32)(H,28,33).
What are the key properties of 2-(3-fluorophenyl)-5-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-fluorophenyl)-5-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 476.54 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 122650906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).