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

C21H18FN5O — CID 178095312

IUPAC[(2R)-2-(2-fluorophenyl)azetidin-1-yl]-[6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone
SMILESCc1[nH]ncc1-c1ccc2cc(C(=O)N3CC[C@@H]3c3ccccc3F)[nH]c2n1
InChIInChI=1S/C21H18FN5O/c1-12-15(11-23-26-12)17-7-6-13-10-18(25-20(13)24-17)21(28)27-9-8-19(27)14-4-2-3-5-16(14)22/h2-7,10-11,19H,8-9H2,1H3,(H,23,26)(H,24,25)/t19-/m1/s1
InChIKeyTXQGACXDOXIHSD-LJQANCHMSA-N
MW375.41 g/mol
LogP3.99
Rot. Bonds3

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

[(2R)-2-(2-fluorophenyl)azetidin-1-yl]-[6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone (PubChem CID 178095312) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is [(2R)-2-(2-fluorophenyl)azetidin-1-yl]-[6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-(2-fluorophenyl)azetidin-1-yl]-[6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone
PubChem CID178095312
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name[(2R)-2-(2-fluorophenyl)azetidin-1-yl]-[6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone
SMILESCc1[nH]ncc1-c1ccc2cc(C(=O)N3CC[C@@H]3c3ccccc3F)[nH]c2n1
InChIInChI=1S/C21H18FN5O/c1-12-15(11-23-26-12)17-7-6-13-10-18(25-20(13)24-17)21(28)27-9-8-19(27)14-4-2-3-5-16(14)22/h2-7,10-11,19H,8-9H2,1H3,(H,23,26)(H,24,25)/t19-/m1/s1
InChIKeyTXQGACXDOXIHSD-LJQANCHMSA-N
XLogP3.99
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2R)-2-(2-fluorophenyl)azetidin-1-yl]-[6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone with MolForge

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Related Compounds

[2-(3-methylphenyl)azetidin-1-yl]-[6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone
CID 178095418
N-[1-(4-fluorophenyl)cyclopropyl]-6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 171835103
[2-(2-fluorophenyl)azetidin-1-yl]-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone
CID 154779946
[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(2S)-2-(2-fluorophenyl)azetidin-1-yl]methanone
CID 124733378
[(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-(2-fluorophenyl)cyclopropyl]-1-methyl-6-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide
CID 171835162
6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxylic acid
CID 118172974
[(2R)-2-phenylazetidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanone
CID 178095072
N-[(2-fluorophenyl)methyl]-6-[5-methyl-1-(2-methylpropanoyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 178094834
1H-indol-2-yl-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124988103
(4-chloro-1-methylpyrazol-5-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone
CID 51856497
[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone
CID 51856413

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2-fluorophenyl)azetidin-1-yl]-[6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone?
The IUPAC name of [(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) is [(2R)-2-(2-fluorophenyl)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 [(2R)-2-(2-fluorophenyl)azetidin-1-yl]-[6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone?
The canonical SMILES for [(2R)-2-(2-fluorophenyl)azetidin-1-yl]-[6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone is Cc1[nH]ncc1-c1ccc2cc(C(=O)N3CC[C@@H]3c3ccccc3F)[nH]c2n1.
What is the InChIKey of [(2R)-2-(2-fluorophenyl)azetidin-1-yl]-[6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone?
The InChIKey is TXQGACXDOXIHSD-LJQANCHMSA-N. The full InChI is InChI=1S/C21H18FN5O/c1-12-15(11-23-26-12)17-7-6-13-10-18(25-20(13)24-17)21(28)27-9-8-19(27)14-4-2-3-5-16(14)22/h2-7,10-11,19H,8-9H2,1H3,(H,23,26)(H,24,25)/t19-/m1/s1.
What are the key properties of [(2R)-2-(2-fluorophenyl)azetidin-1-yl]-[6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone?
[(2R)-2-(2-fluorophenyl)azetidin-1-yl]-[6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone has a molecular weight of 375.41 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(2-fluorophenyl)azetidin-1-yl]-[6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone is sourced from PubChem (CID 178095312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).