2-(7-chloro-1,3-dimethylindazol-5-yl)-3-N-(4-cyanophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

C24H21ClN8O2 — CID 122639788

IUPAC2-(7-chloro-1,3-dimethylindazol-5-yl)-3-N-(4-cyanophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCc1nn(C)c2c(Cl)cc(-c3nn4c(c3C(=O)Nc3ccc(C#N)cc3)CN(C(N)=O)CC4)cc12
InChIInChI=1S/C24H21ClN8O2/c1-13-17-9-15(10-18(25)22(17)31(2)29-13)21-20(19-12-32(24(27)35)7-8-33(19)30-21)23(34)28-16-5-3-14(11-26)4-6-16/h3-6,9-10H,7-8,12H2,1-2H3,(H2,27,35)(H,28,34)
InChIKeyKZDPVYUIFIOSQT-UHFFFAOYSA-N
MW488.94 g/mol
LogP3.42
Rot. Bonds3

About 2-(7-chloro-1,3-dimethylindazol-5-yl)-3-N-(4-cyanophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

2-(7-chloro-1,3-dimethylindazol-5-yl)-3-N-(4-cyanophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 122639788) has the molecular formula C24H21ClN8O2 and a molecular weight of 488.94 g/mol. Its IUPAC name is 2-(7-chloro-1,3-dimethylindazol-5-yl)-3-N-(4-cyanophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(7-chloro-1,3-dimethylindazol-5-yl)-3-N-(4-cyanophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID122639788
Molecular FormulaC24H21ClN8O2
Molecular Weight488.94 g/mol
Exact Mass488.15
IUPAC Name2-(7-chloro-1,3-dimethylindazol-5-yl)-3-N-(4-cyanophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCc1nn(C)c2c(Cl)cc(-c3nn4c(c3C(=O)Nc3ccc(C#N)cc3)CN(C(N)=O)CC4)cc12
InChIInChI=1S/C24H21ClN8O2/c1-13-17-9-15(10-18(25)22(17)31(2)29-13)21-20(19-12-32(24(27)35)7-8-33(19)30-21)23(34)28-16-5-3-14(11-26)4-6-16/h3-6,9-10H,7-8,12H2,1-2H3,(H2,27,35)(H,28,34)
InChIKeyKZDPVYUIFIOSQT-UHFFFAOYSA-N
XLogP3.42
TPSA134.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.94
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(7-chloro-1,3-dimethylindazol-5-yl)-3-N-(4-cyanophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide with MolForge

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Related Compounds

3-N-(4-cyanophenyl)-2-(3-methylsulfonylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122639718
3-N-(4-cyano-3-methylphenyl)-2-(3,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122639678
3-N-(3-chloro-4-cyanophenyl)-2-(4-fluoro-2-methylindazol-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122639679
3-N-(4-cyano-3-fluorophenyl)-2-(3-fluoro-5-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122639783
3-N-(4-cyano-3-methylphenyl)-2-(4-fluoro-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122639726
3-N-tert-butyl-2-(3,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062347
3-N-tert-butyl-2-(3-cyano-5-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061667
5-N-(4-cyanophenyl)-2-(4-fluoro-3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122650856
5-N-(3-chloro-4-cyanophenyl)-2-(7-chloro-3-methyl-2H-indazol-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122650896
5-N-(4-cyanophenyl)-2-(2,3-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122650953
3-N-tert-butyl-2-(3-chlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062688
5-N-(3-bromo-4-methylphenyl)-2-(3-chloro-4-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 123319642

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1,3-dimethylindazol-5-yl)-3-N-(4-cyanophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(7-chloro-1,3-dimethylindazol-5-yl)-3-N-(4-cyanophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 122639788) is 2-(7-chloro-1,3-dimethylindazol-5-yl)-3-N-(4-cyanophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 2-(7-chloro-1,3-dimethylindazol-5-yl)-3-N-(4-cyanophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(7-chloro-1,3-dimethylindazol-5-yl)-3-N-(4-cyanophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is Cc1nn(C)c2c(Cl)cc(-c3nn4c(c3C(=O)Nc3ccc(C#N)cc3)CN(C(N)=O)CC4)cc12.
What is the InChIKey of 2-(7-chloro-1,3-dimethylindazol-5-yl)-3-N-(4-cyanophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is KZDPVYUIFIOSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN8O2/c1-13-17-9-15(10-18(25)22(17)31(2)29-13)21-20(19-12-32(24(27)35)7-8-33(19)30-21)23(34)28-16-5-3-14(11-26)4-6-16/h3-6,9-10H,7-8,12H2,1-2H3,(H2,27,35)(H,28,34).
What are the key properties of 2-(7-chloro-1,3-dimethylindazol-5-yl)-3-N-(4-cyanophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(7-chloro-1,3-dimethylindazol-5-yl)-3-N-(4-cyanophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 488.94 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1,3-dimethylindazol-5-yl)-3-N-(4-cyanophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 122639788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).