8-[[[2-(4-aminopiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]quinolin-2-amine

C23H29N9 — CID 146188009

IUPAC8-[[[2-(4-aminopiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]quinolin-2-amine
SMILESCC(C)c1cnn2c(NCc3cccc4ccc(N)nc34)nc(N3CCC(N)CC3)nc12
InChIInChI=1S/C23H29N9/c1-14(2)18-13-27-32-21(18)29-23(31-10-8-17(24)9-11-31)30-22(32)26-12-16-5-3-4-15-6-7-19(25)28-20(15)16/h3-7,13-14,17H,8-12,24H2,1-2H3,(H2,25,28)(H,26,29,30)
InChIKeyJLRMGASSXNFNDT-UHFFFAOYSA-N
MW431.55 g/mol
LogP2.92
Rot. Bonds5

About 8-[[[2-(4-aminopiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]quinolin-2-amine

8-[[[2-(4-aminopiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]quinolin-2-amine (PubChem CID 146188009) has the molecular formula C23H29N9 and a molecular weight of 431.55 g/mol. Its IUPAC name is 8-[[[2-(4-aminopiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]quinolin-2-amine.

Molecular Properties

Compound Name8-[[[2-(4-aminopiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]quinolin-2-amine
PubChem CID146188009
Molecular FormulaC23H29N9
Molecular Weight431.55 g/mol
Exact Mass431.25
IUPAC Name8-[[[2-(4-aminopiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]quinolin-2-amine
SMILESCC(C)c1cnn2c(NCc3cccc4ccc(N)nc34)nc(N3CCC(N)CC3)nc12
InChIInChI=1S/C23H29N9/c1-14(2)18-13-27-32-21(18)29-23(31-10-8-17(24)9-11-31)30-22(32)26-12-16-5-3-4-15-6-7-19(25)28-20(15)16/h3-7,13-14,17H,8-12,24H2,1-2H3,(H2,25,28)(H,26,29,30)
InChIKeyJLRMGASSXNFNDT-UHFFFAOYSA-N
XLogP2.92
TPSA123.28 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.55
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 8-[[[2-(4-aminopiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]quinolin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[[[2-(4-aminopiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]quinolin-2-amine?
The IUPAC name of 8-[[[2-(4-aminopiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]quinolin-2-amine (CID 146188009) is 8-[[[2-(4-aminopiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]quinolin-2-amine.
What is the SMILES notation for 8-[[[2-(4-aminopiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]quinolin-2-amine?
The canonical SMILES for 8-[[[2-(4-aminopiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]quinolin-2-amine is CC(C)c1cnn2c(NCc3cccc4ccc(N)nc34)nc(N3CCC(N)CC3)nc12.
What is the InChIKey of 8-[[[2-(4-aminopiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]quinolin-2-amine?
The InChIKey is JLRMGASSXNFNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N9/c1-14(2)18-13-27-32-21(18)29-23(31-10-8-17(24)9-11-31)30-22(32)26-12-16-5-3-4-15-6-7-19(25)28-20(15)16/h3-7,13-14,17H,8-12,24H2,1-2H3,(H2,25,28)(H,26,29,30).
What are the key properties of 8-[[[2-(4-aminopiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]quinolin-2-amine?
8-[[[2-(4-aminopiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]quinolin-2-amine has a molecular weight of 431.55 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[[2-(4-aminopiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]quinolin-2-amine is sourced from PubChem (CID 146188009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).