(3-methylmorpholin-4-yl)-[6-(3-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]methanone

C19H18N6O2S — CID 172583385

IUPAC(3-methylmorpholin-4-yl)-[6-(3-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]methanone
SMILESCC1COCCN1C(=O)c1cc2ccc(-c3cnc4c(c3)nnn4C)nc2s1
InChIInChI=1S/C19H18N6O2S/c1-11-10-27-6-5-25(11)19(26)16-8-12-3-4-14(21-18(12)28-16)13-7-15-17(20-9-13)24(2)23-22-15/h3-4,7-9,11H,5-6,10H2,1-2H3
InChIKeyLVVDRYOTNKIOSR-UHFFFAOYSA-N
MW394.46 g/mol
LogP2.50
Rot. Bonds2

About (3-methylmorpholin-4-yl)-[6-(3-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]methanone

(3-methylmorpholin-4-yl)-[6-(3-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]methanone (PubChem CID 172583385) has the molecular formula C19H18N6O2S and a molecular weight of 394.46 g/mol. Its IUPAC name is (3-methylmorpholin-4-yl)-[6-(3-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]methanone.

Molecular Properties

Compound Name(3-methylmorpholin-4-yl)-[6-(3-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]methanone
PubChem CID172583385
Molecular FormulaC19H18N6O2S
Molecular Weight394.46 g/mol
Exact Mass394.12
IUPAC Name(3-methylmorpholin-4-yl)-[6-(3-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]methanone
SMILESCC1COCCN1C(=O)c1cc2ccc(-c3cnc4c(c3)nnn4C)nc2s1
InChIInChI=1S/C19H18N6O2S/c1-11-10-27-6-5-25(11)19(26)16-8-12-3-4-14(21-18(12)28-16)13-7-15-17(20-9-13)24(2)23-22-15/h3-4,7-9,11H,5-6,10H2,1-2H3
InChIKeyLVVDRYOTNKIOSR-UHFFFAOYSA-N
XLogP2.50
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-[2-[(3R)-3-methylmorpholine-4-carbonyl]thieno[2,3-b]pyridin-6-yl]-1H-pyridin-2-one
CID 172583435
1-methyl-5-[2-(3-methylmorpholine-4-carbonyl)thieno[2,3-b]pyridin-6-yl]pyridin-2-one
CID 172583527
[(3S)-3-methylmorpholin-4-yl]-[6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-2-yl]methanone
CID 172583459
[(3R)-3-methylmorpholin-4-yl]-[6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-2-yl]methanone
CID 172583428
(S)-[2-(3-methyltriazolo[4,5-b]pyridin-6-yl)quinolin-7-yl]-(oxan-4-yl)methanol
CID 172542636
(3-methylmorpholin-4-yl)-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 110309752
[(3R)-3-methylmorpholin-4-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176503964
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(3-methylmorpholin-4-yl)methanone
CID 176716360
(6-chloro-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone
CID 43429048
[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 94095663
(5-chloro-1,3,4-thiadiazol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 107856527
(4-amino-1-methylpyrazol-5-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106773672

Frequently Asked Questions

What is the IUPAC name of (3-methylmorpholin-4-yl)-[6-(3-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]methanone?
The IUPAC name of (3-methylmorpholin-4-yl)-[6-(3-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]methanone (CID 172583385) is (3-methylmorpholin-4-yl)-[6-(3-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]methanone.
What is the SMILES notation for (3-methylmorpholin-4-yl)-[6-(3-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]methanone?
The canonical SMILES for (3-methylmorpholin-4-yl)-[6-(3-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]methanone is CC1COCCN1C(=O)c1cc2ccc(-c3cnc4c(c3)nnn4C)nc2s1.
What is the InChIKey of (3-methylmorpholin-4-yl)-[6-(3-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]methanone?
The InChIKey is LVVDRYOTNKIOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2S/c1-11-10-27-6-5-25(11)19(26)16-8-12-3-4-14(21-18(12)28-16)13-7-15-17(20-9-13)24(2)23-22-15/h3-4,7-9,11H,5-6,10H2,1-2H3.
What are the key properties of (3-methylmorpholin-4-yl)-[6-(3-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]methanone?
(3-methylmorpholin-4-yl)-[6-(3-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]methanone has a molecular weight of 394.46 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylmorpholin-4-yl)-[6-(3-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]methanone is sourced from PubChem (CID 172583385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).