[4-(1H-pyrazol-5-yl)phenyl]-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone

C20H19N7O3 — CID 3561816

IUPAC[4-(1H-pyrazol-5-yl)phenyl]-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone
SMILESO=C(c1ccc(-c2ccn[nH]2)cc1)N1CCOC(COn2nnc3cccnc32)C1
InChIInChI=1S/C20H19N7O3/c28-20(15-5-3-14(4-6-15)17-7-9-22-23-17)26-10-11-29-16(12-26)13-30-27-19-18(24-25-27)2-1-8-21-19/h1-9,16H,10-13H2,(H,22,23)
InChIKeyNUOYMLNLTCFLHF-UHFFFAOYSA-N
MW405.42 g/mol
LogP1.19
Rot. Bonds5

About [4-(1H-pyrazol-5-yl)phenyl]-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone

[4-(1H-pyrazol-5-yl)phenyl]-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone (PubChem CID 3561816) has the molecular formula C20H19N7O3 and a molecular weight of 405.42 g/mol. Its IUPAC name is [4-(1H-pyrazol-5-yl)phenyl]-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[4-(1H-pyrazol-5-yl)phenyl]-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone
PubChem CID3561816
Molecular FormulaC20H19N7O3
Molecular Weight405.42 g/mol
Exact Mass405.15
IUPAC Name[4-(1H-pyrazol-5-yl)phenyl]-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone
SMILESO=C(c1ccc(-c2ccn[nH]2)cc1)N1CCOC(COn2nnc3cccnc32)C1
InChIInChI=1S/C20H19N7O3/c28-20(15-5-3-14(4-6-15)17-7-9-22-23-17)26-10-11-29-16(12-26)13-30-27-19-18(24-25-27)2-1-8-21-19/h1-9,16H,10-13H2,(H,22,23)
InChIKeyNUOYMLNLTCFLHF-UHFFFAOYSA-N
XLogP1.19
TPSA111.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-(1H-pyrazol-5-yl)phenyl]-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone?
The IUPAC name of [4-(1H-pyrazol-5-yl)phenyl]-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone (CID 3561816) is [4-(1H-pyrazol-5-yl)phenyl]-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for [4-(1H-pyrazol-5-yl)phenyl]-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for [4-(1H-pyrazol-5-yl)phenyl]-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone is O=C(c1ccc(-c2ccn[nH]2)cc1)N1CCOC(COn2nnc3cccnc32)C1.
What is the InChIKey of [4-(1H-pyrazol-5-yl)phenyl]-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone?
The InChIKey is NUOYMLNLTCFLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O3/c28-20(15-5-3-14(4-6-15)17-7-9-22-23-17)26-10-11-29-16(12-26)13-30-27-19-18(24-25-27)2-1-8-21-19/h1-9,16H,10-13H2,(H,22,23).
What are the key properties of [4-(1H-pyrazol-5-yl)phenyl]-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone?
[4-(1H-pyrazol-5-yl)phenyl]-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone has a molecular weight of 405.42 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-pyrazol-5-yl)phenyl]-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 3561816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).