2-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol

C23H29FN8O2 — CID 146650983

IUPAC2-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol
SMILESCOc1cc2nc(N)n3nc([C@@H]4CCCN(c5cn(C(C)(C)CO)nc5C)C4)nc3c2cc1F
InChIInChI=1S/C23H29FN8O2/c1-13-18(11-31(28-13)23(2,3)12-33)30-7-5-6-14(10-30)20-27-21-15-8-16(24)19(34-4)9-17(15)26-22(25)32(21)29-20/h8-9,11,14,33H,5-7,10,12H2,1-4H3,(H2,25,26)/t14-/m1/s1
InChIKeyBHTKTSYNQIBIHO-CQSZACIVSA-N
MW468.54 g/mol
LogP2.62
Rot. Bonds5

About 2-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol

2-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol (PubChem CID 146650983) has the molecular formula C23H29FN8O2 and a molecular weight of 468.54 g/mol. Its IUPAC name is 2-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol
PubChem CID146650983
Molecular FormulaC23H29FN8O2
Molecular Weight468.54 g/mol
Exact Mass468.24
IUPAC Name2-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol
SMILESCOc1cc2nc(N)n3nc([C@@H]4CCCN(c5cn(C(C)(C)CO)nc5C)C4)nc3c2cc1F
InChIInChI=1S/C23H29FN8O2/c1-13-18(11-31(28-13)23(2,3)12-33)30-7-5-6-14(10-30)20-27-21-15-8-16(24)19(34-4)9-17(15)26-22(25)32(21)29-20/h8-9,11,14,33H,5-7,10,12H2,1-4H3,(H2,25,26)/t14-/m1/s1
InChIKeyBHTKTSYNQIBIHO-CQSZACIVSA-N
XLogP2.62
TPSA119.62 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol?
The IUPAC name of 2-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol (CID 146650983) is 2-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol is COc1cc2nc(N)n3nc([C@@H]4CCCN(c5cn(C(C)(C)CO)nc5C)C4)nc3c2cc1F.
What is the InChIKey of 2-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol?
The InChIKey is BHTKTSYNQIBIHO-CQSZACIVSA-N. The full InChI is InChI=1S/C23H29FN8O2/c1-13-18(11-31(28-13)23(2,3)12-33)30-7-5-6-14(10-30)20-27-21-15-8-16(24)19(34-4)9-17(15)26-22(25)32(21)29-20/h8-9,11,14,33H,5-7,10,12H2,1-4H3,(H2,25,26)/t14-/m1/s1.
What are the key properties of 2-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol?
2-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol has a molecular weight of 468.54 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 146650983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).