2-[[(3-chloro-2-pyridinyl)amino]methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C18H15ClFN5O — CID 118575099

IUPAC2-[[(3-chloro-2-pyridinyl)amino]methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(CNc3ncccc3Cl)nn2CCN1c1ccc(F)cc1
InChIInChI=1S/C18H15ClFN5O/c19-15-2-1-7-21-17(15)22-11-13-10-16-18(26)24(8-9-25(16)23-13)14-5-3-12(20)4-6-14/h1-7,10H,8-9,11H2,(H,21,22)
InChIKeyDMHNRJGFVBNVHE-UHFFFAOYSA-N
MW371.80 g/mol
LogP3.34
Rot. Bonds4

About 2-[[(3-chloro-2-pyridinyl)amino]methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

2-[[(3-chloro-2-pyridinyl)amino]methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 118575099) has the molecular formula C18H15ClFN5O and a molecular weight of 371.80 g/mol. Its IUPAC name is 2-[[(3-chloro-2-pyridinyl)amino]methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[[(3-chloro-2-pyridinyl)amino]methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID118575099
Molecular FormulaC18H15ClFN5O
Molecular Weight371.80 g/mol
Exact Mass371.09
IUPAC Name2-[[(3-chloro-2-pyridinyl)amino]methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(CNc3ncccc3Cl)nn2CCN1c1ccc(F)cc1
InChIInChI=1S/C18H15ClFN5O/c19-15-2-1-7-21-17(15)22-11-13-10-16-18(26)24(8-9-25(16)23-13)14-5-3-12(20)4-6-14/h1-7,10H,8-9,11H2,(H,21,22)
InChIKeyDMHNRJGFVBNVHE-UHFFFAOYSA-N
XLogP3.34
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3-chloro-2-pyridinyl)amino]methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[[(3-chloro-2-pyridinyl)amino]methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 118575099) is 2-[[(3-chloro-2-pyridinyl)amino]methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[[(3-chloro-2-pyridinyl)amino]methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[[(3-chloro-2-pyridinyl)amino]methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is O=C1c2cc(CNc3ncccc3Cl)nn2CCN1c1ccc(F)cc1.
What is the InChIKey of 2-[[(3-chloro-2-pyridinyl)amino]methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is DMHNRJGFVBNVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN5O/c19-15-2-1-7-21-17(15)22-11-13-10-16-18(26)24(8-9-25(16)23-13)14-5-3-12(20)4-6-14/h1-7,10H,8-9,11H2,(H,21,22).
What are the key properties of 2-[[(3-chloro-2-pyridinyl)amino]methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
2-[[(3-chloro-2-pyridinyl)amino]methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 371.80 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-chloro-2-pyridinyl)amino]methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 118575099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).