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

C22H21N5O2 — CID 178094996

IUPAC[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone
SMILESCOc1cccc([C@H]2CCCN2C(=O)c2cc3ccc(-c4cn[nH]c4)nc3[nH]2)c1
InChIInChI=1S/C22H21N5O2/c1-29-17-5-2-4-14(10-17)20-6-3-9-27(20)22(28)19-11-15-7-8-18(25-21(15)26-19)16-12-23-24-13-16/h2,4-5,7-8,10-13,20H,3,6,9H2,1H3,(H,23,24)(H,25,26)/t20-/m1/s1
InChIKeyLVLMOWBFLOFVJW-HXUWFJFHSA-N
MW387.44 g/mol
LogP3.94
Rot. Bonds4

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

[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone (PubChem CID 178094996) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone
PubChem CID178094996
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone
SMILESCOc1cccc([C@H]2CCCN2C(=O)c2cc3ccc(-c4cn[nH]c4)nc3[nH]2)c1
InChIInChI=1S/C22H21N5O2/c1-29-17-5-2-4-14(10-17)20-6-3-9-27(20)22(28)19-11-15-7-8-18(25-21(15)26-19)16-12-23-24-13-16/h2,4-5,7-8,10-13,20H,3,6,9H2,1H3,(H,23,24)(H,25,26)/t20-/m1/s1
InChIKeyLVLMOWBFLOFVJW-HXUWFJFHSA-N
XLogP3.94
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone with MolForge

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Related Compounds

3-[(2S)-2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-2H-isoquinolin-1-one
CID 94578408
[3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 145021807
6-[2-(3-methoxyphenyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 70774580
(6-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-[(3S)-3-(3-methoxyphenyl)morpholin-4-yl]methanone
CID 178094981
[3-(3-methoxyphenyl)morpholin-4-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 178094970
(6-methoxy-1H-indol-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 7070196
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
[(2R)-2-phenylazetidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanone
CID 178095072
[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-ethyl-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 67108151
methyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzoate
CID 51318465
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 42934876

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone?
The IUPAC name of [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone (CID 178094996) is [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone.
What is the SMILES notation for [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone?
The canonical SMILES for [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone is COc1cccc([C@H]2CCCN2C(=O)c2cc3ccc(-c4cn[nH]c4)nc3[nH]2)c1.
What is the InChIKey of [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone?
The InChIKey is LVLMOWBFLOFVJW-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-29-17-5-2-4-14(10-17)20-6-3-9-27(20)22(28)19-11-15-7-8-18(25-21(15)26-19)16-12-23-24-13-16/h2,4-5,7-8,10-13,20H,3,6,9H2,1H3,(H,23,24)(H,25,26)/t20-/m1/s1.
What are the key properties of [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone?
[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone has a molecular weight of 387.44 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone is sourced from PubChem (CID 178094996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).