(6-chloro-2H-chromen-3-yl)-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone

C20H18ClN5O4 — CID 3375909

IUPAC(6-chloro-2H-chromen-3-yl)-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone
SMILESO=C(C1=Cc2cc(Cl)ccc2OC1)N1CCOC(COn2nnc3cccnc32)C1
InChIInChI=1S/C20H18ClN5O4/c21-15-3-4-18-13(9-15)8-14(11-29-18)20(27)25-6-7-28-16(10-25)12-30-26-19-17(23-24-26)2-1-5-22-19/h1-5,8-9,16H,6-7,10-12H2
InChIKeyJADCNYMHGIQRPI-UHFFFAOYSA-N
MW427.85 g/mol
LogP1.61
Rot. Bonds4

About (6-chloro-2H-chromen-3-yl)-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone

(6-chloro-2H-chromen-3-yl)-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone (PubChem CID 3375909) has the molecular formula C20H18ClN5O4 and a molecular weight of 427.85 g/mol. Its IUPAC name is (6-chloro-2H-chromen-3-yl)-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(6-chloro-2H-chromen-3-yl)-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone
PubChem CID3375909
Molecular FormulaC20H18ClN5O4
Molecular Weight427.85 g/mol
Exact Mass427.10
IUPAC Name(6-chloro-2H-chromen-3-yl)-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone
SMILESO=C(C1=Cc2cc(Cl)ccc2OC1)N1CCOC(COn2nnc3cccnc32)C1
InChIInChI=1S/C20H18ClN5O4/c21-15-3-4-18-13(9-15)8-14(11-29-18)20(27)25-6-7-28-16(10-25)12-30-26-19-17(23-24-26)2-1-5-22-19/h1-5,8-9,16H,6-7,10-12H2
InChIKeyJADCNYMHGIQRPI-UHFFFAOYSA-N
XLogP1.61
TPSA91.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.85
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(6-chloro-2H-chromen-3-yl)-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone
CID 3800574
2H-benzotriazol-5-yl-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone
CID 6413056
[4-(1H-pyrazol-5-yl)phenyl]-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone
CID 3561816
2-(5-chloro-1-benzothiophen-3-yl)-1-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]ethanone
CID 3836749
methyl 2-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholine-4-carbonyl]amino]benzoate
CID 3475985
N-(2,3-dihydro-1H-inden-2-yl)-2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholine-4-carbothioamide
CID 3785464
1-methyl-5-pyridin-3-yl-4-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 3833751
2-(1,3-benzothiazol-2-ylsulfanyl)-1-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]ethanone
CID 5128261
[5-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methyl]furan-2-yl]methyl acetate
CID 74226222
4-methyl-7-[2-oxo-2-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]ethoxy]chromen-2-one
CID 3711655
methyl 4-methyl-3-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholine-4-carbothioyl]amino]thiophene-2-carboxylate
CID 3689884
(6-chloro-2H-chromen-3-yl)-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 96577008

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2H-chromen-3-yl)-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone?
The IUPAC name of (6-chloro-2H-chromen-3-yl)-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone (CID 3375909) is (6-chloro-2H-chromen-3-yl)-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (6-chloro-2H-chromen-3-yl)-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for (6-chloro-2H-chromen-3-yl)-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone is O=C(C1=Cc2cc(Cl)ccc2OC1)N1CCOC(COn2nnc3cccnc32)C1.
What is the InChIKey of (6-chloro-2H-chromen-3-yl)-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone?
The InChIKey is JADCNYMHGIQRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O4/c21-15-3-4-18-13(9-15)8-14(11-29-18)20(27)25-6-7-28-16(10-25)12-30-26-19-17(23-24-26)2-1-5-22-19/h1-5,8-9,16H,6-7,10-12H2.
What are the key properties of (6-chloro-2H-chromen-3-yl)-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone?
(6-chloro-2H-chromen-3-yl)-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone has a molecular weight of 427.85 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2H-chromen-3-yl)-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 3375909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).