2-[1-(1-cyclopropylpyrazol-4-yl)-2-methylpiperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C22H26N8O — CID 167359195

IUPAC2-[1-(1-cyclopropylpyrazol-4-yl)-2-methylpiperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(C3CCCN(c4cnn(C5CC5)c4)C3C)nc21
InChIInChI=1S/C22H26N8O/c1-13-16(6-4-10-28(13)15-11-24-29(12-15)14-8-9-14)20-26-21-17-5-3-7-18(31-2)19(17)25-22(23)30(21)27-20/h3,5,7,11-14,16H,4,6,8-10H2,1-2H3,(H2,23,25)
InChIKeyCSIUTJJAFMJOJZ-UHFFFAOYSA-N
MW418.51 g/mol
LogP3.17
Rot. Bonds4

About 2-[1-(1-cyclopropylpyrazol-4-yl)-2-methylpiperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

2-[1-(1-cyclopropylpyrazol-4-yl)-2-methylpiperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 167359195) has the molecular formula C22H26N8O and a molecular weight of 418.51 g/mol. Its IUPAC name is 2-[1-(1-cyclopropylpyrazol-4-yl)-2-methylpiperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name2-[1-(1-cyclopropylpyrazol-4-yl)-2-methylpiperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID167359195
Molecular FormulaC22H26N8O
Molecular Weight418.51 g/mol
Exact Mass418.22
IUPAC Name2-[1-(1-cyclopropylpyrazol-4-yl)-2-methylpiperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(C3CCCN(c4cnn(C5CC5)c4)C3C)nc21
InChIInChI=1S/C22H26N8O/c1-13-16(6-4-10-28(13)15-11-24-29(12-15)14-8-9-14)20-26-21-17-5-3-7-18(31-2)19(17)25-22(23)30(21)27-20/h3,5,7,11-14,16H,4,6,8-10H2,1-2H3,(H2,23,25)
InChIKeyCSIUTJJAFMJOJZ-UHFFFAOYSA-N
XLogP3.17
TPSA99.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[1-(1-cyclopropylpyrazol-4-yl)-2-methylpiperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-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 2-[1-(1-cyclopropylpyrazol-4-yl)-2-methylpiperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 2-[1-(1-cyclopropylpyrazol-4-yl)-2-methylpiperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 167359195) is 2-[1-(1-cyclopropylpyrazol-4-yl)-2-methylpiperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 2-[1-(1-cyclopropylpyrazol-4-yl)-2-methylpiperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 2-[1-(1-cyclopropylpyrazol-4-yl)-2-methylpiperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cccc2c1nc(N)n1nc(C3CCCN(c4cnn(C5CC5)c4)C3C)nc21.
What is the InChIKey of 2-[1-(1-cyclopropylpyrazol-4-yl)-2-methylpiperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is CSIUTJJAFMJOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O/c1-13-16(6-4-10-28(13)15-11-24-29(12-15)14-8-9-14)20-26-21-17-5-3-7-18(31-2)19(17)25-22(23)30(21)27-20/h3,5,7,11-14,16H,4,6,8-10H2,1-2H3,(H2,23,25).
What are the key properties of 2-[1-(1-cyclopropylpyrazol-4-yl)-2-methylpiperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
2-[1-(1-cyclopropylpyrazol-4-yl)-2-methylpiperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 418.51 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-cyclopropylpyrazol-4-yl)-2-methylpiperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 167359195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).