7-[4-(diethylamino)-2-methylphenyl]imino-3-(1,5-dimethylpyrazol-3-yl)-N,N,2-trimethylimidazo[1,2-b]pyrazole-6-carboxamide

C25H32N8O — CID 58621636

IUPAC7-[4-(diethylamino)-2-methylphenyl]imino-3-(1,5-dimethylpyrazol-3-yl)-N,N,2-trimethylimidazo[1,2-b]pyrazole-6-carboxamide
SMILESCCN(CC)c1ccc(/N=C2/C(C(=O)N(C)C)=Nn3c2nc(C)c3-c2cc(C)n(C)n2)c(C)c1
InChIInChI=1S/C25H32N8O/c1-9-32(10-2)18-11-12-19(15(3)13-18)27-21-22(25(34)30(6)7)29-33-23(17(5)26-24(21)33)20-14-16(4)31(8)28-20/h11-14H,9-10H2,1-8H3/b27-21-
InChIKeyOUQWIHLZIFEMEC-MEFGMAGPSA-N
MW460.59 g/mol
LogP3.48
Rot. Bonds6

About 7-[4-(diethylamino)-2-methylphenyl]imino-3-(1,5-dimethylpyrazol-3-yl)-N,N,2-trimethylimidazo[1,2-b]pyrazole-6-carboxamide

7-[4-(diethylamino)-2-methylphenyl]imino-3-(1,5-dimethylpyrazol-3-yl)-N,N,2-trimethylimidazo[1,2-b]pyrazole-6-carboxamide (PubChem CID 58621636) has the molecular formula C25H32N8O and a molecular weight of 460.59 g/mol. Its IUPAC name is 7-[4-(diethylamino)-2-methylphenyl]imino-3-(1,5-dimethylpyrazol-3-yl)-N,N,2-trimethylimidazo[1,2-b]pyrazole-6-carboxamide.

Molecular Properties

Compound Name7-[4-(diethylamino)-2-methylphenyl]imino-3-(1,5-dimethylpyrazol-3-yl)-N,N,2-trimethylimidazo[1,2-b]pyrazole-6-carboxamide
PubChem CID58621636
Molecular FormulaC25H32N8O
Molecular Weight460.59 g/mol
Exact Mass460.27
IUPAC Name7-[4-(diethylamino)-2-methylphenyl]imino-3-(1,5-dimethylpyrazol-3-yl)-N,N,2-trimethylimidazo[1,2-b]pyrazole-6-carboxamide
SMILESCCN(CC)c1ccc(/N=C2/C(C(=O)N(C)C)=Nn3c2nc(C)c3-c2cc(C)n(C)n2)c(C)c1
InChIInChI=1S/C25H32N8O/c1-9-32(10-2)18-11-12-19(15(3)13-18)27-21-22(25(34)30(6)7)29-33-23(17(5)26-24(21)33)20-14-16(4)31(8)28-20/h11-14H,9-10H2,1-8H3/b27-21-
InChIKeyOUQWIHLZIFEMEC-MEFGMAGPSA-N
XLogP3.48
TPSA83.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.59
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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Related Compounds

3-[4-(diethylamino)-2-methylphenyl]imino-2,6-dimethyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 58584028
3-[4-(diethylamino)-2-methylphenyl]imino-2-methyl-5-propan-2-yl-6-propylpyrazolo[1,5-a]pyrimidin-7-one
CID 58584033
6-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-2,5-dimethylpyrazolo[1,5-a]pyridin-7-one
CID 58883157
3-[4-(diethylamino)-2-methylphenyl]imino-6-heptyl-2,5-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-one
CID 21302210
[7-[4-(diethylamino)-2-methylphenyl]imino-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazol-6-yl]-(dimethylamino)methanol
CID 71190923
5-[3-[4-(diethylamino)-2-methylphenyl]imino-5-isocyano-4-methyl-2,6-dioxo-1-pyridinyl]benzene-1,3-dicarboxylic acid
CID 22900604
3-[4-(diethylamino)-2-methylphenyl]imino-2-[2-[2-(2-ethoxyethoxy)ethoxy]phenyl]-6-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-one
CID 20717682
7-[4-(diethylamino)-2-methylphenyl]imino-N-methoxy-N-methyl-3-pyrazin-2-ylpyrazolo[5,1-c][1,2,4]triazol-6-amine
CID 88864102
3-[4-[benzyl(ethyl)amino]-2-methylphenyl]imino-6-butyl-2-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-one
CID 20717672
6-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-2,5-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-one;3-[4-(diethylamino)-2-methylphenyl]imino-2,5-di(propan-2-yl)-6-propylpyrazolo[1,5-a]pyrimidin-7-one;3-[4-(diethylamino)-2-methylphenyl]imino-6-pentyl-2,5-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-one;3-[4-(diethylamino)-2-methylphenyl]imino-2,5,6-tri(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-one
CID 159900536
2-(2-chlorophenyl)-3-[4-[ethyl(2-methoxyethyl)amino]-2-methylphenyl]imino-5-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-one
CID 20717696
[4-(diethylamino)-2-methylphenyl]iminoazanium
CID 4185821

Frequently Asked Questions

What is the IUPAC name of 7-[4-(diethylamino)-2-methylphenyl]imino-3-(1,5-dimethylpyrazol-3-yl)-N,N,2-trimethylimidazo[1,2-b]pyrazole-6-carboxamide?
The IUPAC name of 7-[4-(diethylamino)-2-methylphenyl]imino-3-(1,5-dimethylpyrazol-3-yl)-N,N,2-trimethylimidazo[1,2-b]pyrazole-6-carboxamide (CID 58621636) is 7-[4-(diethylamino)-2-methylphenyl]imino-3-(1,5-dimethylpyrazol-3-yl)-N,N,2-trimethylimidazo[1,2-b]pyrazole-6-carboxamide.
What is the SMILES notation for 7-[4-(diethylamino)-2-methylphenyl]imino-3-(1,5-dimethylpyrazol-3-yl)-N,N,2-trimethylimidazo[1,2-b]pyrazole-6-carboxamide?
The canonical SMILES for 7-[4-(diethylamino)-2-methylphenyl]imino-3-(1,5-dimethylpyrazol-3-yl)-N,N,2-trimethylimidazo[1,2-b]pyrazole-6-carboxamide is CCN(CC)c1ccc(/N=C2/C(C(=O)N(C)C)=Nn3c2nc(C)c3-c2cc(C)n(C)n2)c(C)c1.
What is the InChIKey of 7-[4-(diethylamino)-2-methylphenyl]imino-3-(1,5-dimethylpyrazol-3-yl)-N,N,2-trimethylimidazo[1,2-b]pyrazole-6-carboxamide?
The InChIKey is OUQWIHLZIFEMEC-MEFGMAGPSA-N. The full InChI is InChI=1S/C25H32N8O/c1-9-32(10-2)18-11-12-19(15(3)13-18)27-21-22(25(34)30(6)7)29-33-23(17(5)26-24(21)33)20-14-16(4)31(8)28-20/h11-14H,9-10H2,1-8H3/b27-21-.
What are the key properties of 7-[4-(diethylamino)-2-methylphenyl]imino-3-(1,5-dimethylpyrazol-3-yl)-N,N,2-trimethylimidazo[1,2-b]pyrazole-6-carboxamide?
7-[4-(diethylamino)-2-methylphenyl]imino-3-(1,5-dimethylpyrazol-3-yl)-N,N,2-trimethylimidazo[1,2-b]pyrazole-6-carboxamide has a molecular weight of 460.59 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(diethylamino)-2-methylphenyl]imino-3-(1,5-dimethylpyrazol-3-yl)-N,N,2-trimethylimidazo[1,2-b]pyrazole-6-carboxamide is sourced from PubChem (CID 58621636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).