5-(5-fluoro-2-pyridinyl)-2-[(4-methoxy-N-methylanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C20H20FN5O2 — CID 118575169

IUPAC5-(5-fluoro-2-pyridinyl)-2-[(4-methoxy-N-methylanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(N(C)Cc2cc3n(n2)CCN(c2ccc(F)cn2)C3=O)cc1
InChIInChI=1S/C20H20FN5O2/c1-24(16-4-6-17(28-2)7-5-16)13-15-11-18-20(27)25(9-10-26(18)23-15)19-8-3-14(21)12-22-19/h3-8,11-12H,9-10,13H2,1-2H3
InChIKeyMYLDNRDEVSFCNI-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.72
Rot. Bonds5

About 5-(5-fluoro-2-pyridinyl)-2-[(4-methoxy-N-methylanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-(5-fluoro-2-pyridinyl)-2-[(4-methoxy-N-methylanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 118575169) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is 5-(5-fluoro-2-pyridinyl)-2-[(4-methoxy-N-methylanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-(5-fluoro-2-pyridinyl)-2-[(4-methoxy-N-methylanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID118575169
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name5-(5-fluoro-2-pyridinyl)-2-[(4-methoxy-N-methylanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(N(C)Cc2cc3n(n2)CCN(c2ccc(F)cn2)C3=O)cc1
InChIInChI=1S/C20H20FN5O2/c1-24(16-4-6-17(28-2)7-5-16)13-15-11-18-20(27)25(9-10-26(18)23-15)19-8-3-14(21)12-22-19/h3-8,11-12H,9-10,13H2,1-2H3
InChIKeyMYLDNRDEVSFCNI-UHFFFAOYSA-N
XLogP2.72
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-pyridinyl)-2-[(4-methoxy-N-methylanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-(5-fluoro-2-pyridinyl)-2-[(4-methoxy-N-methylanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 118575169) is 5-(5-fluoro-2-pyridinyl)-2-[(4-methoxy-N-methylanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-(5-fluoro-2-pyridinyl)-2-[(4-methoxy-N-methylanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-(5-fluoro-2-pyridinyl)-2-[(4-methoxy-N-methylanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is COc1ccc(N(C)Cc2cc3n(n2)CCN(c2ccc(F)cn2)C3=O)cc1.
What is the InChIKey of 5-(5-fluoro-2-pyridinyl)-2-[(4-methoxy-N-methylanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is MYLDNRDEVSFCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-24(16-4-6-17(28-2)7-5-16)13-15-11-18-20(27)25(9-10-26(18)23-15)19-8-3-14(21)12-22-19/h3-8,11-12H,9-10,13H2,1-2H3.
What are the key properties of 5-(5-fluoro-2-pyridinyl)-2-[(4-methoxy-N-methylanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-(5-fluoro-2-pyridinyl)-2-[(4-methoxy-N-methylanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 381.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-pyridinyl)-2-[(4-methoxy-N-methylanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 118575169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).