[3-(3-methoxyphenyl)morpholin-4-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone

C22H21N5O3 — CID 178094970

IUPAC[3-(3-methoxyphenyl)morpholin-4-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
SMILESCOc1cccc(C2COCCN2C(=O)c2c[nH]c3nc(-c4cn[nH]c4)ccc23)c1
InChIInChI=1S/C22H21N5O3/c1-29-16-4-2-3-14(9-16)20-13-30-8-7-27(20)22(28)18-12-23-21-17(18)5-6-19(26-21)15-10-24-25-11-15/h2-6,9-12,20H,7-8,13H2,1H3,(H,23,26)(H,24,25)
InChIKeyZOPPBSFQVZVLGL-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.18
Rot. Bonds4

About [3-(3-methoxyphenyl)morpholin-4-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone

[3-(3-methoxyphenyl)morpholin-4-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone (PubChem CID 178094970) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is [3-(3-methoxyphenyl)morpholin-4-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone.

Molecular Properties

Compound Name[3-(3-methoxyphenyl)morpholin-4-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
PubChem CID178094970
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name[3-(3-methoxyphenyl)morpholin-4-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
SMILESCOc1cccc(C2COCCN2C(=O)c2c[nH]c3nc(-c4cn[nH]c4)ccc23)c1
InChIInChI=1S/C22H21N5O3/c1-29-16-4-2-3-14(9-16)20-13-30-8-7-27(20)22(28)18-12-23-21-17(18)5-6-19(26-21)15-10-24-25-11-15/h2-6,9-12,20H,7-8,13H2,1H3,(H,23,26)(H,24,25)
InChIKeyZOPPBSFQVZVLGL-UHFFFAOYSA-N
XLogP3.18
TPSA96.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 178094971
[3-(3-chlorophenyl)morpholin-4-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 178095431
[(3S)-3-phenylmorpholin-4-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]methanone
CID 178095206
[(3S)-3-(3-chlorophenyl)morpholin-4-yl]-[1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-2-yl]methanone
CID 178095065
[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone
CID 178094996
(6-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-[(3S)-3-(3-methoxyphenyl)morpholin-4-yl]methanone
CID 178094981
[(3S)-3-(2-fluorophenyl)morpholin-4-yl]-[1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 178095297
(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)morpholin-4-yl]methanone
CID 178095302
(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[(3S)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)morpholin-4-yl]methanone
CID 178095306
[2-(3-methoxyphenyl)azetidin-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
CID 74232527
(1S)-1-(3-methoxyphenyl)-10-(1H-pyrazol-4-yl)-2,4,5,6,7,7a-hexahydro-1H-[1,4]oxazonino[5,4-a]isoindol-12-one;sulfane
CID 165071184
[(3R)-3-(5-methoxy-1-methylcyclohexa-2,4-dien-1-yl)morpholin-4-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone
CID 178095424

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxyphenyl)morpholin-4-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone?
The IUPAC name of [3-(3-methoxyphenyl)morpholin-4-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone (CID 178094970) is [3-(3-methoxyphenyl)morpholin-4-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone.
What is the SMILES notation for [3-(3-methoxyphenyl)morpholin-4-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone?
The canonical SMILES for [3-(3-methoxyphenyl)morpholin-4-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone is COc1cccc(C2COCCN2C(=O)c2c[nH]c3nc(-c4cn[nH]c4)ccc23)c1.
What is the InChIKey of [3-(3-methoxyphenyl)morpholin-4-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone?
The InChIKey is ZOPPBSFQVZVLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-29-16-4-2-3-14(9-16)20-13-30-8-7-27(20)22(28)18-12-23-21-17(18)5-6-19(26-21)15-10-24-25-11-15/h2-6,9-12,20H,7-8,13H2,1H3,(H,23,26)(H,24,25).
What are the key properties of [3-(3-methoxyphenyl)morpholin-4-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone?
[3-(3-methoxyphenyl)morpholin-4-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone has a molecular weight of 403.44 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxyphenyl)morpholin-4-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone is sourced from PubChem (CID 178094970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).