N-butyl-3-(2,4-dichlorophenyl)-1,5-dimethyl-N-pentylpyrazolo[4,3-b]pyridin-7-amine

C23H30Cl2N4 — CID 10388138

IUPACN-butyl-3-(2,4-dichlorophenyl)-1,5-dimethyl-N-pentylpyrazolo[4,3-b]pyridin-7-amine
SMILESCCCCCN(CCCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12
InChIInChI=1S/C23H30Cl2N4/c1-5-7-9-13-29(12-8-6-2)20-14-16(3)26-22-21(27-28(4)23(20)22)18-11-10-17(24)15-19(18)25/h10-11,14-15H,5-9,12-13H2,1-4H3
InChIKeyWJRNESDDMLZGJN-UHFFFAOYSA-N
MW433.43 g/mol
LogP7.05
Rot. Bonds9

About N-butyl-3-(2,4-dichlorophenyl)-1,5-dimethyl-N-pentylpyrazolo[4,3-b]pyridin-7-amine

N-butyl-3-(2,4-dichlorophenyl)-1,5-dimethyl-N-pentylpyrazolo[4,3-b]pyridin-7-amine (PubChem CID 10388138) has the molecular formula C23H30Cl2N4 and a molecular weight of 433.43 g/mol. Its IUPAC name is N-butyl-3-(2,4-dichlorophenyl)-1,5-dimethyl-N-pentylpyrazolo[4,3-b]pyridin-7-amine.

Molecular Properties

Compound NameN-butyl-3-(2,4-dichlorophenyl)-1,5-dimethyl-N-pentylpyrazolo[4,3-b]pyridin-7-amine
PubChem CID10388138
Molecular FormulaC23H30Cl2N4
Molecular Weight433.43 g/mol
Exact Mass432.18
IUPAC NameN-butyl-3-(2,4-dichlorophenyl)-1,5-dimethyl-N-pentylpyrazolo[4,3-b]pyridin-7-amine
SMILESCCCCCN(CCCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12
InChIInChI=1S/C23H30Cl2N4/c1-5-7-9-13-29(12-8-6-2)20-14-16(3)26-22-21(27-28(4)23(20)22)18-11-10-17(24)15-19(18)25/h10-11,14-15H,5-9,12-13H2,1-4H3
InChIKeyWJRNESDDMLZGJN-UHFFFAOYSA-N
XLogP7.05
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.43
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(2,4-dichlorophenyl)-1,5-dimethyl-N-pentylpyrazolo[4,3-b]pyridin-7-amine?
The IUPAC name of N-butyl-3-(2,4-dichlorophenyl)-1,5-dimethyl-N-pentylpyrazolo[4,3-b]pyridin-7-amine (CID 10388138) is N-butyl-3-(2,4-dichlorophenyl)-1,5-dimethyl-N-pentylpyrazolo[4,3-b]pyridin-7-amine.
What is the SMILES notation for N-butyl-3-(2,4-dichlorophenyl)-1,5-dimethyl-N-pentylpyrazolo[4,3-b]pyridin-7-amine?
The canonical SMILES for N-butyl-3-(2,4-dichlorophenyl)-1,5-dimethyl-N-pentylpyrazolo[4,3-b]pyridin-7-amine is CCCCCN(CCCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12.
What is the InChIKey of N-butyl-3-(2,4-dichlorophenyl)-1,5-dimethyl-N-pentylpyrazolo[4,3-b]pyridin-7-amine?
The InChIKey is WJRNESDDMLZGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30Cl2N4/c1-5-7-9-13-29(12-8-6-2)20-14-16(3)26-22-21(27-28(4)23(20)22)18-11-10-17(24)15-19(18)25/h10-11,14-15H,5-9,12-13H2,1-4H3.
What are the key properties of N-butyl-3-(2,4-dichlorophenyl)-1,5-dimethyl-N-pentylpyrazolo[4,3-b]pyridin-7-amine?
N-butyl-3-(2,4-dichlorophenyl)-1,5-dimethyl-N-pentylpyrazolo[4,3-b]pyridin-7-amine has a molecular weight of 433.43 g/mol, XLogP of 7.05, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(2,4-dichlorophenyl)-1,5-dimethyl-N-pentylpyrazolo[4,3-b]pyridin-7-amine is sourced from PubChem (CID 10388138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).