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

C19H17FN6O2 — CID 118069188

IUPAC2-(3-fluorophenyl)-5-N-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)Nc1cccnc1)CC2
InChIInChI=1S/C19H17FN6O2/c20-13-4-1-3-12(9-13)17-16(18(21)27)15-11-25(7-8-26(15)24-17)19(28)23-14-5-2-6-22-10-14/h1-6,9-10H,7-8,11H2,(H2,21,27)(H,23,28)
InChIKeyMQHZNYZJTYAAJY-UHFFFAOYSA-N
MW380.38 g/mol
LogP2.23
Rot. Bonds3

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

2-(3-fluorophenyl)-5-N-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118069188) has the molecular formula C19H17FN6O2 and a molecular weight of 380.38 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-N-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-N-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118069188
Molecular FormulaC19H17FN6O2
Molecular Weight380.38 g/mol
Exact Mass380.14
IUPAC Name2-(3-fluorophenyl)-5-N-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)Nc1cccnc1)CC2
InChIInChI=1S/C19H17FN6O2/c20-13-4-1-3-12(9-13)17-16(18(21)27)15-11-25(7-8-26(15)24-17)19(28)23-14-5-2-6-22-10-14/h1-6,9-10H,7-8,11H2,(H2,21,27)(H,23,28)
InChIKeyMQHZNYZJTYAAJY-UHFFFAOYSA-N
XLogP2.23
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-N-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-fluorophenyl)-5-N-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118069188) is 2-(3-fluorophenyl)-5-N-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-5-N-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-5-N-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is NC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)Nc1cccnc1)CC2.
What is the InChIKey of 2-(3-fluorophenyl)-5-N-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is MQHZNYZJTYAAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O2/c20-13-4-1-3-12(9-13)17-16(18(21)27)15-11-25(7-8-26(15)24-17)19(28)23-14-5-2-6-22-10-14/h1-6,9-10H,7-8,11H2,(H2,21,27)(H,23,28).
What are the key properties of 2-(3-fluorophenyl)-5-N-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-fluorophenyl)-5-N-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 380.38 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-N-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118069188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).