[(2R)-2-phenylazetidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanone

C21H18N4O — CID 178095072

IUPAC[(2R)-2-phenylazetidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanone
SMILESO=C(c1cc2ccc(-c3cn[nH]c3)cc2[nH]1)N1CC[C@@H]1c1ccccc1
InChIInChI=1S/C21H18N4O/c26-21(25-9-8-20(25)14-4-2-1-3-5-14)19-11-16-7-6-15(10-18(16)24-19)17-12-22-23-13-17/h1-7,10-13,20,24H,8-9H2,(H,22,23)/t20-/m1/s1
InChIKeySVAXXMDYNDKEJG-HXUWFJFHSA-N
MW342.40 g/mol
LogP4.15
Rot. Bonds3

About [(2R)-2-phenylazetidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanone

[(2R)-2-phenylazetidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanone (PubChem CID 178095072) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is [(2R)-2-phenylazetidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-phenylazetidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanone
PubChem CID178095072
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name[(2R)-2-phenylazetidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanone
SMILESO=C(c1cc2ccc(-c3cn[nH]c3)cc2[nH]1)N1CC[C@@H]1c1ccccc1
InChIInChI=1S/C21H18N4O/c26-21(25-9-8-20(25)14-4-2-1-3-5-14)19-11-16-7-6-15(10-18(16)24-19)17-12-22-23-13-17/h1-7,10-13,20,24H,8-9H2,(H,22,23)/t20-/m1/s1
InChIKeySVAXXMDYNDKEJG-HXUWFJFHSA-N
XLogP4.15
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

morpholin-4-yl-[6-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanone
CID 178095122
[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone
CID 178094996
[(3S)-3-phenylmorpholin-4-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]methanone
CID 178095206
(6-methoxy-1H-indol-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 7070196
(6-bromo-1H-indol-2-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 178095403
(6-methyl-1H-indol-2-yl)-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95569629
[6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indol-2-yl]-(3-pyridin-4-ylpiperidin-1-yl)methanone
CID 137381745
[2-(2-fluorophenyl)pyrrolidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]methanone
CID 178095115
[2-(3-methylphenyl)azetidin-1-yl]-[6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone
CID 178095418
[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-[6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indol-2-yl]methanone
CID 137387475
(3-phenylpyrrolidin-1-yl)-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]methanone;2,2,2-trifluoroacetic acid
CID 117078074
(5-bromo-1H-indol-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42947361

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-phenylazetidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanone?
The IUPAC name of [(2R)-2-phenylazetidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanone (CID 178095072) is [(2R)-2-phenylazetidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanone.
What is the SMILES notation for [(2R)-2-phenylazetidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanone?
The canonical SMILES for [(2R)-2-phenylazetidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanone is O=C(c1cc2ccc(-c3cn[nH]c3)cc2[nH]1)N1CC[C@@H]1c1ccccc1.
What is the InChIKey of [(2R)-2-phenylazetidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanone?
The InChIKey is SVAXXMDYNDKEJG-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H18N4O/c26-21(25-9-8-20(25)14-4-2-1-3-5-14)19-11-16-7-6-15(10-18(16)24-19)17-12-22-23-13-17/h1-7,10-13,20,24H,8-9H2,(H,22,23)/t20-/m1/s1.
What are the key properties of [(2R)-2-phenylazetidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanone?
[(2R)-2-phenylazetidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanone has a molecular weight of 342.40 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-phenylazetidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanone is sourced from PubChem (CID 178095072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).