[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-(1-propan-2-ylpyrazol-4-yl)methanol

C23H31N7O2 — CID 123272311

IUPAC[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-(1-propan-2-ylpyrazol-4-yl)methanol
SMILESCC(C)n1cc(C(O)C2CCCN(c3nnnc4cc(N5CCOCC5)ccc34)C2)cn1
InChIInChI=1S/C23H31N7O2/c1-16(2)30-15-18(13-24-30)22(31)17-4-3-7-29(14-17)23-20-6-5-19(12-21(20)25-27-26-23)28-8-10-32-11-9-28/h5-6,12-13,15-17,22,31H,3-4,7-11,14H2,1-2H3
InChIKeyFMLUIVZIXGFWRC-UHFFFAOYSA-N
MW437.55 g/mol
LogP2.59
Rot. Bonds5

About [1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-(1-propan-2-ylpyrazol-4-yl)methanol

[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-(1-propan-2-ylpyrazol-4-yl)methanol (PubChem CID 123272311) has the molecular formula C23H31N7O2 and a molecular weight of 437.55 g/mol. Its IUPAC name is [1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-(1-propan-2-ylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-(1-propan-2-ylpyrazol-4-yl)methanol
PubChem CID123272311
Molecular FormulaC23H31N7O2
Molecular Weight437.55 g/mol
Exact Mass437.25
IUPAC Name[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-(1-propan-2-ylpyrazol-4-yl)methanol
SMILESCC(C)n1cc(C(O)C2CCCN(c3nnnc4cc(N5CCOCC5)ccc34)C2)cn1
InChIInChI=1S/C23H31N7O2/c1-16(2)30-15-18(13-24-30)22(31)17-4-3-7-29(14-17)23-20-6-5-19(12-21(20)25-27-26-23)28-8-10-32-11-9-28/h5-6,12-13,15-17,22,31H,3-4,7-11,14H2,1-2H3
InChIKeyFMLUIVZIXGFWRC-UHFFFAOYSA-N
XLogP2.59
TPSA92.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-(1-propan-2-ylpyrazol-4-yl)methanol?
The IUPAC name of [1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-(1-propan-2-ylpyrazol-4-yl)methanol (CID 123272311) is [1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-(1-propan-2-ylpyrazol-4-yl)methanol.
What is the SMILES notation for [1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-(1-propan-2-ylpyrazol-4-yl)methanol?
The canonical SMILES for [1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-(1-propan-2-ylpyrazol-4-yl)methanol is CC(C)n1cc(C(O)C2CCCN(c3nnnc4cc(N5CCOCC5)ccc34)C2)cn1.
What is the InChIKey of [1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-(1-propan-2-ylpyrazol-4-yl)methanol?
The InChIKey is FMLUIVZIXGFWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O2/c1-16(2)30-15-18(13-24-30)22(31)17-4-3-7-29(14-17)23-20-6-5-19(12-21(20)25-27-26-23)28-8-10-32-11-9-28/h5-6,12-13,15-17,22,31H,3-4,7-11,14H2,1-2H3.
What are the key properties of [1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-(1-propan-2-ylpyrazol-4-yl)methanol?
[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-(1-propan-2-ylpyrazol-4-yl)methanol has a molecular weight of 437.55 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-(1-propan-2-ylpyrazol-4-yl)methanol is sourced from PubChem (CID 123272311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).