[2-(3-methylphenyl)azetidin-1-yl]-[6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone

C22H21N5O — CID 178095418

IUPAC[2-(3-methylphenyl)azetidin-1-yl]-[6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone
SMILESCc1cccc(C2CCN2C(=O)c2cc3ccc(-c4cn[nH]c4C)nc3[nH]2)c1
InChIInChI=1S/C22H21N5O/c1-13-4-3-5-15(10-13)20-8-9-27(20)22(28)19-11-16-6-7-18(24-21(16)25-19)17-12-23-26-14(17)2/h3-7,10-12,20H,8-9H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyRIBLQRSIXYXVCW-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.16
Rot. Bonds3

About [2-(3-methylphenyl)azetidin-1-yl]-[6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone

[2-(3-methylphenyl)azetidin-1-yl]-[6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone (PubChem CID 178095418) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is [2-(3-methylphenyl)azetidin-1-yl]-[6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone.

Molecular Properties

Compound Name[2-(3-methylphenyl)azetidin-1-yl]-[6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone
PubChem CID178095418
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name[2-(3-methylphenyl)azetidin-1-yl]-[6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone
SMILESCc1cccc(C2CCN2C(=O)c2cc3ccc(-c4cn[nH]c4C)nc3[nH]2)c1
InChIInChI=1S/C22H21N5O/c1-13-4-3-5-15(10-13)20-8-9-27(20)22(28)19-11-16-6-7-18(24-21(16)25-19)17-12-23-26-14(17)2/h3-7,10-12,20H,8-9H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyRIBLQRSIXYXVCW-UHFFFAOYSA-N
XLogP4.16
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-(2-fluorophenyl)azetidin-1-yl]-[6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone
CID 178095312
[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone
CID 178094996
N-[1-(4-fluorophenyl)cyclopropyl]-6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 171835103
[(2R)-2-phenylazetidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanone
CID 178095072
[(2R)-2-(3-methylphenyl)azepan-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 99808935
6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxylic acid
CID 118172974
(6-methyl-1H-indol-2-yl)-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95569629
(6-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-[(3S)-3-(3-methoxyphenyl)morpholin-4-yl]methanone
CID 178094981
(2,6-dipyridin-2-yl-4-pyridinyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone
CID 171673570
2-(3-methylphenyl)-N-propan-2-ylazepane-1-carboxamide
CID 53013135
2-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]acetic acid
CID 56741273
(2,6-dimethoxyphenyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone
CID 50747261

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylphenyl)azetidin-1-yl]-[6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone?
The IUPAC name of [2-(3-methylphenyl)azetidin-1-yl]-[6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone (CID 178095418) is [2-(3-methylphenyl)azetidin-1-yl]-[6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone.
What is the SMILES notation for [2-(3-methylphenyl)azetidin-1-yl]-[6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone?
The canonical SMILES for [2-(3-methylphenyl)azetidin-1-yl]-[6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone is Cc1cccc(C2CCN2C(=O)c2cc3ccc(-c4cn[nH]c4C)nc3[nH]2)c1.
What is the InChIKey of [2-(3-methylphenyl)azetidin-1-yl]-[6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone?
The InChIKey is RIBLQRSIXYXVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-13-4-3-5-15(10-13)20-8-9-27(20)22(28)19-11-16-6-7-18(24-21(16)25-19)17-12-23-26-14(17)2/h3-7,10-12,20H,8-9H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of [2-(3-methylphenyl)azetidin-1-yl]-[6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone?
[2-(3-methylphenyl)azetidin-1-yl]-[6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone has a molecular weight of 371.44 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylphenyl)azetidin-1-yl]-[6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone is sourced from PubChem (CID 178095418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).