3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]cyclohexan-1-ol

C23H29N7O3 — CID 146650722

IUPAC3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]cyclohexan-1-ol
SMILESCOc1cccc2c1nc(N)n1nc(C3CCCC(O)(c4cnn(CC(C)(C)O)c4)C3)nc21
InChIInChI=1S/C23H29N7O3/c1-22(2,31)13-29-12-15(11-25-29)23(32)9-5-6-14(10-23)19-27-20-16-7-4-8-17(33-3)18(16)26-21(24)30(20)28-19/h4,7-8,11-12,14,31-32H,5-6,9-10,13H2,1-3H3,(H2,24,26)
InChIKeyNMHKBAWEMIHTMM-UHFFFAOYSA-N
MW451.53 g/mol
LogP2.38
Rot. Bonds5

About 3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]cyclohexan-1-ol

3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]cyclohexan-1-ol (PubChem CID 146650722) has the molecular formula C23H29N7O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is 3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]cyclohexan-1-ol
PubChem CID146650722
Molecular FormulaC23H29N7O3
Molecular Weight451.53 g/mol
Exact Mass451.23
IUPAC Name3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]cyclohexan-1-ol
SMILESCOc1cccc2c1nc(N)n1nc(C3CCCC(O)(c4cnn(CC(C)(C)O)c4)C3)nc21
InChIInChI=1S/C23H29N7O3/c1-22(2,31)13-29-12-15(11-25-29)23(32)9-5-6-14(10-23)19-27-20-16-7-4-8-17(33-3)18(16)26-21(24)30(20)28-19/h4,7-8,11-12,14,31-32H,5-6,9-10,13H2,1-3H3,(H2,24,26)
InChIKeyNMHKBAWEMIHTMM-UHFFFAOYSA-N
XLogP2.38
TPSA136.61 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]cyclohexan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]cyclohexan-1-ol?
The IUPAC name of 3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]cyclohexan-1-ol (CID 146650722) is 3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]cyclohexan-1-ol.
What is the SMILES notation for 3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]cyclohexan-1-ol?
The canonical SMILES for 3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]cyclohexan-1-ol is COc1cccc2c1nc(N)n1nc(C3CCCC(O)(c4cnn(CC(C)(C)O)c4)C3)nc21.
What is the InChIKey of 3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]cyclohexan-1-ol?
The InChIKey is NMHKBAWEMIHTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O3/c1-22(2,31)13-29-12-15(11-25-29)23(32)9-5-6-14(10-23)19-27-20-16-7-4-8-17(33-3)18(16)26-21(24)30(20)28-19/h4,7-8,11-12,14,31-32H,5-6,9-10,13H2,1-3H3,(H2,24,26).
What are the key properties of 3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]cyclohexan-1-ol?
3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]cyclohexan-1-ol has a molecular weight of 451.53 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]cyclohexan-1-ol is sourced from PubChem (CID 146650722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).