1,5-dimethyl-N-pentan-3-yl-3-(2,4,6-trimethylphenyl)pyrazolo[4,3-b]pyridin-7-amine

C22H30N4 — CID 22474336

IUPAC1,5-dimethyl-N-pentan-3-yl-3-(2,4,6-trimethylphenyl)pyrazolo[4,3-b]pyridin-7-amine
SMILESCCC(CC)Nc1cc(C)nc2c(-c3c(C)cc(C)cc3C)nn(C)c12
InChIInChI=1S/C22H30N4/c1-8-17(9-2)24-18-12-16(6)23-21-20(25-26(7)22(18)21)19-14(4)10-13(3)11-15(19)5/h10-12,17H,8-9H2,1-7H3,(H,23,24)
InChIKeyKZSGZIOHGQRFRB-UHFFFAOYSA-N
MW350.51 g/mol
LogP5.47
Rot. Bonds5

About 1,5-dimethyl-N-pentan-3-yl-3-(2,4,6-trimethylphenyl)pyrazolo[4,3-b]pyridin-7-amine

1,5-dimethyl-N-pentan-3-yl-3-(2,4,6-trimethylphenyl)pyrazolo[4,3-b]pyridin-7-amine (PubChem CID 22474336) has the molecular formula C22H30N4 and a molecular weight of 350.51 g/mol. Its IUPAC name is 1,5-dimethyl-N-pentan-3-yl-3-(2,4,6-trimethylphenyl)pyrazolo[4,3-b]pyridin-7-amine.

Molecular Properties

Compound Name1,5-dimethyl-N-pentan-3-yl-3-(2,4,6-trimethylphenyl)pyrazolo[4,3-b]pyridin-7-amine
PubChem CID22474336
Molecular FormulaC22H30N4
Molecular Weight350.51 g/mol
Exact Mass350.25
IUPAC Name1,5-dimethyl-N-pentan-3-yl-3-(2,4,6-trimethylphenyl)pyrazolo[4,3-b]pyridin-7-amine
SMILESCCC(CC)Nc1cc(C)nc2c(-c3c(C)cc(C)cc3C)nn(C)c12
InChIInChI=1S/C22H30N4/c1-8-17(9-2)24-18-12-16(6)23-21-20(25-26(7)22(18)21)19-14(4)10-13(3)11-15(19)5/h10-12,17H,8-9H2,1-7H3,(H,23,24)
InChIKeyKZSGZIOHGQRFRB-UHFFFAOYSA-N
XLogP5.47
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-pentan-3-yl-3-(2,4,6-trimethylphenyl)pyrazolo[4,3-b]pyridin-7-amine?
The IUPAC name of 1,5-dimethyl-N-pentan-3-yl-3-(2,4,6-trimethylphenyl)pyrazolo[4,3-b]pyridin-7-amine (CID 22474336) is 1,5-dimethyl-N-pentan-3-yl-3-(2,4,6-trimethylphenyl)pyrazolo[4,3-b]pyridin-7-amine.
What is the SMILES notation for 1,5-dimethyl-N-pentan-3-yl-3-(2,4,6-trimethylphenyl)pyrazolo[4,3-b]pyridin-7-amine?
The canonical SMILES for 1,5-dimethyl-N-pentan-3-yl-3-(2,4,6-trimethylphenyl)pyrazolo[4,3-b]pyridin-7-amine is CCC(CC)Nc1cc(C)nc2c(-c3c(C)cc(C)cc3C)nn(C)c12.
What is the InChIKey of 1,5-dimethyl-N-pentan-3-yl-3-(2,4,6-trimethylphenyl)pyrazolo[4,3-b]pyridin-7-amine?
The InChIKey is KZSGZIOHGQRFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4/c1-8-17(9-2)24-18-12-16(6)23-21-20(25-26(7)22(18)21)19-14(4)10-13(3)11-15(19)5/h10-12,17H,8-9H2,1-7H3,(H,23,24).
What are the key properties of 1,5-dimethyl-N-pentan-3-yl-3-(2,4,6-trimethylphenyl)pyrazolo[4,3-b]pyridin-7-amine?
1,5-dimethyl-N-pentan-3-yl-3-(2,4,6-trimethylphenyl)pyrazolo[4,3-b]pyridin-7-amine has a molecular weight of 350.51 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-pentan-3-yl-3-(2,4,6-trimethylphenyl)pyrazolo[4,3-b]pyridin-7-amine is sourced from PubChem (CID 22474336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).