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

C19H16ClFN6O2 — CID 118062568

IUPAC5-N-(2-chloro-4-pyridinyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)Nc1ccnc(Cl)c1)CC2
InChIInChI=1S/C19H16ClFN6O2/c20-15-9-13(4-5-23-15)24-19(29)26-6-7-27-14(10-26)16(18(22)28)17(25-27)11-2-1-3-12(21)8-11/h1-5,8-9H,6-7,10H2,(H2,22,28)(H,23,24,29)
InChIKeyMADGMFVHVJKBDU-UHFFFAOYSA-N
MW414.83 g/mol
LogP2.88
Rot. Bonds3

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

5-N-(2-chloro-4-pyridinyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118062568) has the molecular formula C19H16ClFN6O2 and a molecular weight of 414.83 g/mol. Its IUPAC name is 5-N-(2-chloro-4-pyridinyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(2-chloro-4-pyridinyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118062568
Molecular FormulaC19H16ClFN6O2
Molecular Weight414.83 g/mol
Exact Mass414.10
IUPAC Name5-N-(2-chloro-4-pyridinyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)Nc1ccnc(Cl)c1)CC2
InChIInChI=1S/C19H16ClFN6O2/c20-15-9-13(4-5-23-15)24-19(29)26-6-7-27-14(10-26)16(18(22)28)17(25-27)11-2-1-3-12(21)8-11/h1-5,8-9H,6-7,10H2,(H2,22,28)(H,23,24,29)
InChIKeyMADGMFVHVJKBDU-UHFFFAOYSA-N
XLogP2.88
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.83
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-chloro-4-pyridinyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 5-N-(2-chloro-4-pyridinyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118062568) is 5-N-(2-chloro-4-pyridinyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(2-chloro-4-pyridinyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(2-chloro-4-pyridinyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is NC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)Nc1ccnc(Cl)c1)CC2.
What is the InChIKey of 5-N-(2-chloro-4-pyridinyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is MADGMFVHVJKBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN6O2/c20-15-9-13(4-5-23-15)24-19(29)26-6-7-27-14(10-26)16(18(22)28)17(25-27)11-2-1-3-12(21)8-11/h1-5,8-9H,6-7,10H2,(H2,22,28)(H,23,24,29).
What are the key properties of 5-N-(2-chloro-4-pyridinyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
5-N-(2-chloro-4-pyridinyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 414.83 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-chloro-4-pyridinyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118062568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).