3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-heptan-4-yl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

C23H34N6 — CID 11429341

IUPAC3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-heptan-4-yl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCC(CCC)Nc1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12
InChIInChI=1S/C23H34N6/c1-8-10-18(11-9-2)26-21-13-16(4)25-23-22(17(5)27-29(21)23)19-14-24-20(28(6)7)12-15(19)3/h12-14,18,26H,8-11H2,1-7H3
InChIKeyCNAHKPCQESLBPR-UHFFFAOYSA-N
MW394.57 g/mol
LogP5.16
Rot. Bonds8

About 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-heptan-4-yl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-heptan-4-yl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 11429341) has the molecular formula C23H34N6 and a molecular weight of 394.57 g/mol. Its IUPAC name is 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-heptan-4-yl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-heptan-4-yl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID11429341
Molecular FormulaC23H34N6
Molecular Weight394.57 g/mol
Exact Mass394.28
IUPAC Name3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-heptan-4-yl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCC(CCC)Nc1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12
InChIInChI=1S/C23H34N6/c1-8-10-18(11-9-2)26-21-13-16(4)25-23-22(17(5)27-29(21)23)19-14-24-20(28(6)7)12-15(19)3/h12-14,18,26H,8-11H2,1-7H3
InChIKeyCNAHKPCQESLBPR-UHFFFAOYSA-N
XLogP5.16
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.57
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-heptan-4-yl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

Adipiplon
CID 11198924
Amdizalisib
CID 118981804
PP121
CID 24905142
5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
Decoglurant
CID 71533696
R121919
CID 9821250
Unc569
CID 53355503
(R)-Zinc-3573
CID 95882507
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
N-cyclopropyl-4-pyrazolo(1,5-b)pyridazin-3-ylpyrimidin-2-amine
CID 6918710
3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10249180

Frequently Asked Questions

What is the IUPAC name of 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-heptan-4-yl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-heptan-4-yl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (CID 11429341) is 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-heptan-4-yl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-heptan-4-yl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-heptan-4-yl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is CCCC(CCC)Nc1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12.
What is the InChIKey of 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-heptan-4-yl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is CNAHKPCQESLBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6/c1-8-10-18(11-9-2)26-21-13-16(4)25-23-22(17(5)27-29(21)23)19-14-24-20(28(6)7)12-15(19)3/h12-14,18,26H,8-11H2,1-7H3.
What are the key properties of 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-heptan-4-yl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-heptan-4-yl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 394.57 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-heptan-4-yl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 11429341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).