3-methyl-5-nonan-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C22H31N5 — CID 143090637

IUPAC3-methyl-5-nonan-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCCCC(CCC)c1cc(NCc2cccnc2)n2ncc(C)c2n1
InChIInChI=1S/C22H31N5/c1-4-6-7-11-19(9-5-2)20-13-21(24-16-18-10-8-12-23-15-18)27-22(26-20)17(3)14-25-27/h8,10,12-15,19,24H,4-7,9,11,16H2,1-3H3
InChIKeyIIKIJBQHDBJSKO-UHFFFAOYSA-N
MW365.53 g/mol
LogP5.51
Rot. Bonds10

About 3-methyl-5-nonan-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

3-methyl-5-nonan-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 143090637) has the molecular formula C22H31N5 and a molecular weight of 365.53 g/mol. Its IUPAC name is 3-methyl-5-nonan-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-methyl-5-nonan-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID143090637
Molecular FormulaC22H31N5
Molecular Weight365.53 g/mol
Exact Mass365.26
IUPAC Name3-methyl-5-nonan-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCCCC(CCC)c1cc(NCc2cccnc2)n2ncc(C)c2n1
InChIInChI=1S/C22H31N5/c1-4-6-7-11-19(9-5-2)20-13-21(24-16-18-10-8-12-23-15-18)27-22(26-20)17(3)14-25-27/h8,10,12-15,19,24H,4-7,9,11,16H2,1-3H3
InChIKeyIIKIJBQHDBJSKO-UHFFFAOYSA-N
XLogP5.51
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.53
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-methyl-5-nonan-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-heptan-4-yl-2,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143441390
3-phenyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 4974468
3-methyl-5-N-(3-piperidin-1-ylpropyl)-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 70806616
CID 70878905
CID 70878905
prop-1-ene;2-[3-[3-[7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]hexyl]phenyl]propanenitrile
CID 142870818
1-[4-[3-methyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-phenylsulfanylethanone
CID 70806593
3-bromo-5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;pyridine
CID 143440446
CID 89365529
CID 89365529
3-bromo-5-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143090567
3-bromo-5-tert-butylsulfanyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21067175
ethanol;3-ethyl-5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 145499610
2-methyl-6-N-pentyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112873406

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-nonan-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-methyl-5-nonan-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 143090637) is 3-methyl-5-nonan-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-methyl-5-nonan-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-methyl-5-nonan-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is CCCCCC(CCC)c1cc(NCc2cccnc2)n2ncc(C)c2n1.
What is the InChIKey of 3-methyl-5-nonan-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IIKIJBQHDBJSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5/c1-4-6-7-11-19(9-5-2)20-13-21(24-16-18-10-8-12-23-15-18)27-22(26-20)17(3)14-25-27/h8,10,12-15,19,24H,4-7,9,11,16H2,1-3H3.
What are the key properties of 3-methyl-5-nonan-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-methyl-5-nonan-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 365.53 g/mol, XLogP of 5.51, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-nonan-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 143090637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).