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

C23H18ClFN8O2 — CID 122639679

IUPAC3-N-(3-chloro-4-cyanophenyl)-2-(4-fluoro-2-methylindazol-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCn1cc2c(F)cc(-c3nn4c(c3C(=O)Nc3ccc(C#N)c(Cl)c3)CN(C(N)=O)CC4)cc2n1
InChIInChI=1S/C23H18ClFN8O2/c1-31-10-15-17(25)6-13(7-18(15)29-31)21-20(19-11-32(23(27)35)4-5-33(19)30-21)22(34)28-14-3-2-12(9-26)16(24)8-14/h2-3,6-8,10H,4-5,11H2,1H3,(H2,27,35)(H,28,34)
InChIKeyGWAXVJJIJUBYMN-UHFFFAOYSA-N
MW492.90 g/mol
LogP3.25
Rot. Bonds3

About 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

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 (PubChem CID 122639679) has the molecular formula C23H18ClFN8O2 and a molecular weight of 492.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-N-(3-chloro-4-cyanophenyl)-2-(4-fluoro-2-methylindazol-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID122639679
Molecular FormulaC23H18ClFN8O2
Molecular Weight492.90 g/mol
Exact Mass492.12
IUPAC Name3-N-(3-chloro-4-cyanophenyl)-2-(4-fluoro-2-methylindazol-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCn1cc2c(F)cc(-c3nn4c(c3C(=O)Nc3ccc(C#N)c(Cl)c3)CN(C(N)=O)CC4)cc2n1
InChIInChI=1S/C23H18ClFN8O2/c1-31-10-15-17(25)6-13(7-18(15)29-31)21-20(19-11-32(23(27)35)4-5-33(19)30-21)22(34)28-14-3-2-12(9-26)16(24)8-14/h2-3,6-8,10H,4-5,11H2,1H3,(H2,27,35)(H,28,34)
InChIKeyGWAXVJJIJUBYMN-UHFFFAOYSA-N
XLogP3.25
TPSA134.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.90
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-(3,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122639678
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
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
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
2-(3-chloro-4-fluorophenyl)-5-N-(4-cyano-3-cyclopropylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118085690
3-N-(4-cyanophenyl)-2-(3-methylsulfonylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122639718
2-(3-chloro-4-fluorophenyl)-5-N-(4-cyano-3-morpholin-4-ylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122650874
2-(7-chloro-2-methyl-1,3-benzoxazol-5-yl)-5-N-(4-cyano-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118085587
3-N-(2,4-dichlorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061468
3-N-tert-butyl-2-(3-cyano-5-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061667
2-(3,5-dichloro-4-fluorophenyl)-5-N-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118085506

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1cc2c(F)cc(-c3nn4c(c3C(=O)Nc3ccc(C#N)c(Cl)c3)CN(C(N)=O)CC4)cc2n1.
What is the InChIKey of 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?
The InChIKey is GWAXVJJIJUBYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN8O2/c1-31-10-15-17(25)6-13(7-18(15)29-31)21-20(19-11-32(23(27)35)4-5-33(19)30-21)22(34)28-14-3-2-12(9-26)16(24)8-14/h2-3,6-8,10H,4-5,11H2,1H3,(H2,27,35)(H,28,34).
What are the key properties of 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?
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 has a molecular weight of 492.90 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 122639679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).