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

C19H18FN7O3 — CID 118069191

IUPAC2-(3-fluorophenyl)-5-N-(6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCOc1cc(NC(=O)N2CCn3nc(-c4cccc(F)c4)c(C(N)=O)c3C2)ncn1
InChIInChI=1S/C19H18FN7O3/c1-30-15-8-14(22-10-23-15)24-19(29)26-5-6-27-13(9-26)16(18(21)28)17(25-27)11-3-2-4-12(20)7-11/h2-4,7-8,10H,5-6,9H2,1H3,(H2,21,28)(H,22,23,24,29)
InChIKeyQFOKGWJLLYRZJP-UHFFFAOYSA-N
MW411.40 g/mol
LogP1.63
Rot. Bonds4

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

2-(3-fluorophenyl)-5-N-(6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118069191) has the molecular formula C19H18FN7O3 and a molecular weight of 411.40 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-N-(6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-N-(6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118069191
Molecular FormulaC19H18FN7O3
Molecular Weight411.40 g/mol
Exact Mass411.15
IUPAC Name2-(3-fluorophenyl)-5-N-(6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCOc1cc(NC(=O)N2CCn3nc(-c4cccc(F)c4)c(C(N)=O)c3C2)ncn1
InChIInChI=1S/C19H18FN7O3/c1-30-15-8-14(22-10-23-15)24-19(29)26-5-6-27-13(9-26)16(18(21)28)17(25-27)11-3-2-4-12(20)7-11/h2-4,7-8,10H,5-6,9H2,1H3,(H2,21,28)(H,22,23,24,29)
InChIKeyQFOKGWJLLYRZJP-UHFFFAOYSA-N
XLogP1.63
TPSA128.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.40
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-N-(6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-fluorophenyl)-5-N-(6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118069191) is 2-(3-fluorophenyl)-5-N-(6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-5-N-(6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-5-N-(6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is COc1cc(NC(=O)N2CCn3nc(-c4cccc(F)c4)c(C(N)=O)c3C2)ncn1.
What is the InChIKey of 2-(3-fluorophenyl)-5-N-(6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is QFOKGWJLLYRZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN7O3/c1-30-15-8-14(22-10-23-15)24-19(29)26-5-6-27-13(9-26)16(18(21)28)17(25-27)11-3-2-4-12(20)7-11/h2-4,7-8,10H,5-6,9H2,1H3,(H2,21,28)(H,22,23,24,29).
What are the key properties of 2-(3-fluorophenyl)-5-N-(6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-fluorophenyl)-5-N-(6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 411.40 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-N-(6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118069191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).