6-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-2,5-dimethylpyrazolo[1,5-a]pyridin-7-one

C24H32N4O — CID 58883157

IUPAC6-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-2,5-dimethylpyrazolo[1,5-a]pyridin-7-one
SMILESCCCCc1c(C)cc2n(c1=O)N=C(C)/C2=N\c1ccc(N(CC)CC)cc1C
InChIInChI=1S/C24H32N4O/c1-7-10-11-20-16(4)15-22-23(18(6)26-28(22)24(20)29)25-21-13-12-19(14-17(21)5)27(8-2)9-3/h12-15H,7-11H2,1-6H3/b25-23+
InChIKeyISHUJZPTPLZHFU-WJTDDFOZSA-N
MW392.55 g/mol
LogP5.01
Rot. Bonds7

About 6-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-2,5-dimethylpyrazolo[1,5-a]pyridin-7-one

6-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-2,5-dimethylpyrazolo[1,5-a]pyridin-7-one (PubChem CID 58883157) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is 6-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-2,5-dimethylpyrazolo[1,5-a]pyridin-7-one.

Molecular Properties

Compound Name6-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-2,5-dimethylpyrazolo[1,5-a]pyridin-7-one
PubChem CID58883157
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC Name6-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-2,5-dimethylpyrazolo[1,5-a]pyridin-7-one
SMILESCCCCc1c(C)cc2n(c1=O)N=C(C)/C2=N\c1ccc(N(CC)CC)cc1C
InChIInChI=1S/C24H32N4O/c1-7-10-11-20-16(4)15-22-23(18(6)26-28(22)24(20)29)25-21-13-12-19(14-17(21)5)27(8-2)9-3/h12-15H,7-11H2,1-6H3/b25-23+
InChIKeyISHUJZPTPLZHFU-WJTDDFOZSA-N
XLogP5.01
TPSA49.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.55
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-2,5-dimethylpyrazolo[1,5-a]pyridin-7-one?
The IUPAC name of 6-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-2,5-dimethylpyrazolo[1,5-a]pyridin-7-one (CID 58883157) is 6-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-2,5-dimethylpyrazolo[1,5-a]pyridin-7-one.
What is the SMILES notation for 6-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-2,5-dimethylpyrazolo[1,5-a]pyridin-7-one?
The canonical SMILES for 6-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-2,5-dimethylpyrazolo[1,5-a]pyridin-7-one is CCCCc1c(C)cc2n(c1=O)N=C(C)/C2=N\c1ccc(N(CC)CC)cc1C.
What is the InChIKey of 6-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-2,5-dimethylpyrazolo[1,5-a]pyridin-7-one?
The InChIKey is ISHUJZPTPLZHFU-WJTDDFOZSA-N. The full InChI is InChI=1S/C24H32N4O/c1-7-10-11-20-16(4)15-22-23(18(6)26-28(22)24(20)29)25-21-13-12-19(14-17(21)5)27(8-2)9-3/h12-15H,7-11H2,1-6H3/b25-23+.
What are the key properties of 6-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-2,5-dimethylpyrazolo[1,5-a]pyridin-7-one?
6-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-2,5-dimethylpyrazolo[1,5-a]pyridin-7-one has a molecular weight of 392.55 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-2,5-dimethylpyrazolo[1,5-a]pyridin-7-one is sourced from PubChem (CID 58883157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).