4-[3-(3,4-dihydro-1H-isochromen-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine

C23H20N8O — CID 118216986

IUPAC4-[3-(3,4-dihydro-1H-isochromen-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
SMILESCn1nccc1Nc1nccc(-c2ccn3c(C4OCCc5ccccc54)nnc3c2)n1
InChIInChI=1S/C23H20N8O/c1-30-19(7-11-25-30)27-23-24-10-6-18(26-23)16-8-12-31-20(14-16)28-29-22(31)21-17-5-3-2-4-15(17)9-13-32-21/h2-8,10-12,14,21H,9,13H2,1H3,(H,24,26,27)
InChIKeyHVYXACSSJYYGDU-UHFFFAOYSA-N
MW424.47 g/mol
LogP3.33
Rot. Bonds4

About 4-[3-(3,4-dihydro-1H-isochromen-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine

4-[3-(3,4-dihydro-1H-isochromen-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine (PubChem CID 118216986) has the molecular formula C23H20N8O and a molecular weight of 424.47 g/mol. Its IUPAC name is 4-[3-(3,4-dihydro-1H-isochromen-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(3,4-dihydro-1H-isochromen-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
PubChem CID118216986
Molecular FormulaC23H20N8O
Molecular Weight424.47 g/mol
Exact Mass424.18
IUPAC Name4-[3-(3,4-dihydro-1H-isochromen-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
SMILESCn1nccc1Nc1nccc(-c2ccn3c(C4OCCc5ccccc54)nnc3c2)n1
InChIInChI=1S/C23H20N8O/c1-30-19(7-11-25-30)27-23-24-10-6-18(26-23)16-8-12-31-20(14-16)28-29-22(31)21-17-5-3-2-4-15(17)9-13-32-21/h2-8,10-12,14,21H,9,13H2,1H3,(H,24,26,27)
InChIKeyHVYXACSSJYYGDU-UHFFFAOYSA-N
XLogP3.33
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[3-(3,4-dihydro-1H-isochromen-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4-dihydro-1H-isochromen-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-[3-(3,4-dihydro-1H-isochromen-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine (CID 118216986) is 4-[3-(3,4-dihydro-1H-isochromen-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-[3-(3,4-dihydro-1H-isochromen-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-[3-(3,4-dihydro-1H-isochromen-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine is Cn1nccc1Nc1nccc(-c2ccn3c(C4OCCc5ccccc54)nnc3c2)n1.
What is the InChIKey of 4-[3-(3,4-dihydro-1H-isochromen-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine?
The InChIKey is HVYXACSSJYYGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8O/c1-30-19(7-11-25-30)27-23-24-10-6-18(26-23)16-8-12-31-20(14-16)28-29-22(31)21-17-5-3-2-4-15(17)9-13-32-21/h2-8,10-12,14,21H,9,13H2,1H3,(H,24,26,27).
What are the key properties of 4-[3-(3,4-dihydro-1H-isochromen-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine?
4-[3-(3,4-dihydro-1H-isochromen-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine has a molecular weight of 424.47 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,4-dihydro-1H-isochromen-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 118216986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).