2-[4-[(2R,5R)-5-(5-amino-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-ethylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol

C24H32N8O2 — CID 176511126

IUPAC2-[4-[(2R,5R)-5-(5-amino-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-ethylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol
SMILESCC[C@@H]1CC[C@@H](c2nc3c4ccc(OC)cc4nc(N)n3n2)CN1c1cnn(C(C)(C)CO)c1
InChIInChI=1S/C24H32N8O2/c1-5-16-7-6-15(12-30(16)17-11-26-31(13-17)24(2,3)14-33)21-28-22-19-9-8-18(34-4)10-20(19)27-23(25)32(22)29-21/h8-11,13,15-16,33H,5-7,12,14H2,1-4H3,(H2,25,27)/t15-,16-/m1/s1
InChIKeyVBBWOHFDZCHHQM-HZPDHXFCSA-N
MW464.57 g/mol
LogP2.95
Rot. Bonds6

About 2-[4-[(2R,5R)-5-(5-amino-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-ethylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol

2-[4-[(2R,5R)-5-(5-amino-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-ethylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol (PubChem CID 176511126) has the molecular formula C24H32N8O2 and a molecular weight of 464.57 g/mol. Its IUPAC name is 2-[4-[(2R,5R)-5-(5-amino-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-ethylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[4-[(2R,5R)-5-(5-amino-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-ethylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol
PubChem CID176511126
Molecular FormulaC24H32N8O2
Molecular Weight464.57 g/mol
Exact Mass464.26
IUPAC Name2-[4-[(2R,5R)-5-(5-amino-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-ethylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol
SMILESCC[C@@H]1CC[C@@H](c2nc3c4ccc(OC)cc4nc(N)n3n2)CN1c1cnn(C(C)(C)CO)c1
InChIInChI=1S/C24H32N8O2/c1-5-16-7-6-15(12-30(16)17-11-26-31(13-17)24(2,3)14-33)21-28-22-19-9-8-18(34-4)10-20(19)27-23(25)32(22)29-21/h8-11,13,15-16,33H,5-7,12,14H2,1-4H3,(H2,25,27)/t15-,16-/m1/s1
InChIKeyVBBWOHFDZCHHQM-HZPDHXFCSA-N
XLogP2.95
TPSA119.62 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[4-[(2R,5R)-5-(5-amino-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-ethylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R,5R)-5-(5-amino-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-ethylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol?
The IUPAC name of 2-[4-[(2R,5R)-5-(5-amino-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-ethylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol (CID 176511126) is 2-[4-[(2R,5R)-5-(5-amino-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-ethylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[4-[(2R,5R)-5-(5-amino-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-ethylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[4-[(2R,5R)-5-(5-amino-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-ethylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol is CC[C@@H]1CC[C@@H](c2nc3c4ccc(OC)cc4nc(N)n3n2)CN1c1cnn(C(C)(C)CO)c1.
What is the InChIKey of 2-[4-[(2R,5R)-5-(5-amino-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-ethylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol?
The InChIKey is VBBWOHFDZCHHQM-HZPDHXFCSA-N. The full InChI is InChI=1S/C24H32N8O2/c1-5-16-7-6-15(12-30(16)17-11-26-31(13-17)24(2,3)14-33)21-28-22-19-9-8-18(34-4)10-20(19)27-23(25)32(22)29-21/h8-11,13,15-16,33H,5-7,12,14H2,1-4H3,(H2,25,27)/t15-,16-/m1/s1.
What are the key properties of 2-[4-[(2R,5R)-5-(5-amino-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-ethylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol?
2-[4-[(2R,5R)-5-(5-amino-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-ethylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol has a molecular weight of 464.57 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R,5R)-5-(5-amino-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-ethylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 176511126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).