N,N-dibutyl-3-(2,4-dichlorophenyl)-2,5-dimethylpyrazolo[4,3-b]pyridin-7-amine

C22H28Cl2N4 — CID 11247120

IUPACN,N-dibutyl-3-(2,4-dichlorophenyl)-2,5-dimethylpyrazolo[4,3-b]pyridin-7-amine
SMILESCCCCN(CCCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12
InChIInChI=1S/C22H28Cl2N4/c1-5-7-11-28(12-8-6-2)19-13-15(3)25-21-20(19)26-27(4)22(21)17-10-9-16(23)14-18(17)24/h9-10,13-14H,5-8,11-12H2,1-4H3
InChIKeyMWQRRJIWTQYSPY-UHFFFAOYSA-N
MW419.40 g/mol
LogP6.66
Rot. Bonds8

About N,N-dibutyl-3-(2,4-dichlorophenyl)-2,5-dimethylpyrazolo[4,3-b]pyridin-7-amine

N,N-dibutyl-3-(2,4-dichlorophenyl)-2,5-dimethylpyrazolo[4,3-b]pyridin-7-amine (PubChem CID 11247120) has the molecular formula C22H28Cl2N4 and a molecular weight of 419.40 g/mol. Its IUPAC name is N,N-dibutyl-3-(2,4-dichlorophenyl)-2,5-dimethylpyrazolo[4,3-b]pyridin-7-amine.

Molecular Properties

Compound NameN,N-dibutyl-3-(2,4-dichlorophenyl)-2,5-dimethylpyrazolo[4,3-b]pyridin-7-amine
PubChem CID11247120
Molecular FormulaC22H28Cl2N4
Molecular Weight419.40 g/mol
Exact Mass418.17
IUPAC NameN,N-dibutyl-3-(2,4-dichlorophenyl)-2,5-dimethylpyrazolo[4,3-b]pyridin-7-amine
SMILESCCCCN(CCCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12
InChIInChI=1S/C22H28Cl2N4/c1-5-7-11-28(12-8-6-2)19-13-15(3)25-21-20(19)26-27(4)22(21)17-10-9-16(23)14-18(17)24/h9-10,13-14H,5-8,11-12H2,1-4H3
InChIKeyMWQRRJIWTQYSPY-UHFFFAOYSA-N
XLogP6.66
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.40
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-3-(2,4-dichlorophenyl)-2,5-dimethylpyrazolo[4,3-b]pyridin-7-amine?
The IUPAC name of N,N-dibutyl-3-(2,4-dichlorophenyl)-2,5-dimethylpyrazolo[4,3-b]pyridin-7-amine (CID 11247120) is N,N-dibutyl-3-(2,4-dichlorophenyl)-2,5-dimethylpyrazolo[4,3-b]pyridin-7-amine.
What is the SMILES notation for N,N-dibutyl-3-(2,4-dichlorophenyl)-2,5-dimethylpyrazolo[4,3-b]pyridin-7-amine?
The canonical SMILES for N,N-dibutyl-3-(2,4-dichlorophenyl)-2,5-dimethylpyrazolo[4,3-b]pyridin-7-amine is CCCCN(CCCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12.
What is the InChIKey of N,N-dibutyl-3-(2,4-dichlorophenyl)-2,5-dimethylpyrazolo[4,3-b]pyridin-7-amine?
The InChIKey is MWQRRJIWTQYSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28Cl2N4/c1-5-7-11-28(12-8-6-2)19-13-15(3)25-21-20(19)26-27(4)22(21)17-10-9-16(23)14-18(17)24/h9-10,13-14H,5-8,11-12H2,1-4H3.
What are the key properties of N,N-dibutyl-3-(2,4-dichlorophenyl)-2,5-dimethylpyrazolo[4,3-b]pyridin-7-amine?
N,N-dibutyl-3-(2,4-dichlorophenyl)-2,5-dimethylpyrazolo[4,3-b]pyridin-7-amine has a molecular weight of 419.40 g/mol, XLogP of 6.66, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-3-(2,4-dichlorophenyl)-2,5-dimethylpyrazolo[4,3-b]pyridin-7-amine is sourced from PubChem (CID 11247120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).