(3-methoxyazetidin-1-yl)-[3-methoxy-4-[[2-(1,3-oxazol-5-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]phenyl]methanone

C22H21N5O4 — CID 66548103

IUPAC(3-methoxyazetidin-1-yl)-[3-methoxy-4-[[2-(1,3-oxazol-5-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]phenyl]methanone
SMILESCOc1cc(C(=O)N2CC(OC)C2)ccc1Nc1cc2[nH]c(-c3cnco3)cc2cn1
InChIInChI=1S/C22H21N5O4/c1-29-15-10-27(11-15)22(28)13-3-4-16(19(6-13)30-2)26-21-7-17-14(8-24-21)5-18(25-17)20-9-23-12-31-20/h3-9,12,15,25H,10-11H2,1-2H3,(H,24,26)
InChIKeyOKMPZTKIBTVWLX-UHFFFAOYSA-N
MW419.44 g/mol
LogP3.44
Rot. Bonds6

About (3-methoxyazetidin-1-yl)-[3-methoxy-4-[[2-(1,3-oxazol-5-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]phenyl]methanone

(3-methoxyazetidin-1-yl)-[3-methoxy-4-[[2-(1,3-oxazol-5-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]phenyl]methanone (PubChem CID 66548103) has the molecular formula C22H21N5O4 and a molecular weight of 419.44 g/mol. Its IUPAC name is (3-methoxyazetidin-1-yl)-[3-methoxy-4-[[2-(1,3-oxazol-5-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]phenyl]methanone.

Molecular Properties

Compound Name(3-methoxyazetidin-1-yl)-[3-methoxy-4-[[2-(1,3-oxazol-5-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]phenyl]methanone
PubChem CID66548103
Molecular FormulaC22H21N5O4
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC Name(3-methoxyazetidin-1-yl)-[3-methoxy-4-[[2-(1,3-oxazol-5-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]phenyl]methanone
SMILESCOc1cc(C(=O)N2CC(OC)C2)ccc1Nc1cc2[nH]c(-c3cnco3)cc2cn1
InChIInChI=1S/C22H21N5O4/c1-29-15-10-27(11-15)22(28)13-3-4-16(19(6-13)30-2)26-21-7-17-14(8-24-21)5-18(25-17)20-9-23-12-31-20/h3-9,12,15,25H,10-11H2,1-2H3,(H,24,26)
InChIKeyOKMPZTKIBTVWLX-UHFFFAOYSA-N
XLogP3.44
TPSA105.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3-methoxyazetidin-1-yl)-[3-methoxy-4-[[2-(1,3-oxazol-5-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]phenyl]methanone with MolForge

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Related Compounds

[4-[[6-[1-(2-hydroxycyclohexyl)pyrazol-4-yl]isoquinolin-3-yl]amino]-3-methoxyphenyl]-(3-methoxyazetidin-1-yl)methanone
CID 73389103
(3-methoxyazetidin-1-yl)-[3-methoxy-4-[[6-[1-(methoxymethylsulfanylmethyl)pyrazol-4-yl]isoquinolin-3-yl]amino]phenyl]methanone
CID 134476924
[4-[[6-[1-(2-hydroxybutyl)pyrazol-4-yl]isoquinolin-3-yl]amino]-3-methoxyphenyl]-(3-methoxyazetidin-1-yl)methanone
CID 73389598
[4-[[5-(1H-indol-2-yl)-3-pyridinyl]amino]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone
CID 71126111
[4-[(6-chloropyrazin-2-yl)amino]-3-methoxyphenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 59662157
N-[4-[(dimethylamino)methyl]-2-methoxyphenyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
CID 66548108
[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-methoxy-4-[(6-methylpyrazin-2-yl)amino]phenyl]methanone
CID 70925189
tert-butyl 6-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate
CID 66548457
[4-[[6-[(2,6-dimethylpyrimidin-4-yl)amino]pyrimidin-4-yl]amino]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone
CID 168859302
[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-[4-[[5-(1H-indol-2-yl)-3-pyridinyl]amino]-3-methoxyphenyl]methanone
CID 154558944
[4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-(3-morpholin-4-ylazetidin-1-yl)methanone
CID 58539103
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethane-1,2-dione
CID 24994461

Frequently Asked Questions

What is the IUPAC name of (3-methoxyazetidin-1-yl)-[3-methoxy-4-[[2-(1,3-oxazol-5-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]phenyl]methanone?
The IUPAC name of (3-methoxyazetidin-1-yl)-[3-methoxy-4-[[2-(1,3-oxazol-5-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]phenyl]methanone (CID 66548103) is (3-methoxyazetidin-1-yl)-[3-methoxy-4-[[2-(1,3-oxazol-5-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]phenyl]methanone.
What is the SMILES notation for (3-methoxyazetidin-1-yl)-[3-methoxy-4-[[2-(1,3-oxazol-5-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]phenyl]methanone?
The canonical SMILES for (3-methoxyazetidin-1-yl)-[3-methoxy-4-[[2-(1,3-oxazol-5-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]phenyl]methanone is COc1cc(C(=O)N2CC(OC)C2)ccc1Nc1cc2[nH]c(-c3cnco3)cc2cn1.
What is the InChIKey of (3-methoxyazetidin-1-yl)-[3-methoxy-4-[[2-(1,3-oxazol-5-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]phenyl]methanone?
The InChIKey is OKMPZTKIBTVWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4/c1-29-15-10-27(11-15)22(28)13-3-4-16(19(6-13)30-2)26-21-7-17-14(8-24-21)5-18(25-17)20-9-23-12-31-20/h3-9,12,15,25H,10-11H2,1-2H3,(H,24,26).
What are the key properties of (3-methoxyazetidin-1-yl)-[3-methoxy-4-[[2-(1,3-oxazol-5-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]phenyl]methanone?
(3-methoxyazetidin-1-yl)-[3-methoxy-4-[[2-(1,3-oxazol-5-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]phenyl]methanone has a molecular weight of 419.44 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyazetidin-1-yl)-[3-methoxy-4-[[2-(1,3-oxazol-5-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]phenyl]methanone is sourced from PubChem (CID 66548103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).