[3-hydroxy-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone

C19H22N4O3 — CID 155512246

IUPAC[3-hydroxy-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCCC(O)(c3cc4ncccc4[nH]3)C2)on1
InChIInChI=1S/C19H22N4O3/c1-12(2)14-9-16(26-22-14)18(24)23-8-4-6-19(25,11-23)17-10-15-13(21-17)5-3-7-20-15/h3,5,7,9-10,12,21,25H,4,6,8,11H2,1-2H3
InChIKeyAPJHEVLVYQBAGA-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.80
Rot. Bonds3

About [3-hydroxy-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone

[3-hydroxy-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone (PubChem CID 155512246) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is [3-hydroxy-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[3-hydroxy-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
PubChem CID155512246
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name[3-hydroxy-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCCC(O)(c3cc4ncccc4[nH]3)C2)on1
InChIInChI=1S/C19H22N4O3/c1-12(2)14-9-16(26-22-14)18(24)23-8-4-6-19(25,11-23)17-10-15-13(21-17)5-3-7-20-15/h3,5,7,9-10,12,21,25H,4,6,8,11H2,1-2H3
InChIKeyAPJHEVLVYQBAGA-UHFFFAOYSA-N
XLogP2.80
TPSA95.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-hydroxy-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone with MolForge

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Related Compounds

1-(4-benzoylpiperazin-1-yl)-2-[4-(3-methylisoxazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 59729296
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[7-(3,5-dimethylisoxazol-4-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 5280244
(3-propan-2-yl-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 91800714
N-(5,6-difluoro-1H-indol-3-yl)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 162444722
(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 110236408
N-[2-[(4-methyl-3-phenyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-2-(2-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)acetamide
CID 145978027
[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone
CID 155516855
[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone
CID 155516917
(3-tert-butyl-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 155527689
(3-propan-2-yl-1,2-oxazol-5-yl)-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 155541052
(3-methoxy-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 155547470
(3-cyclopropyl-1,2-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 155568600

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [3-hydroxy-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone (CID 155512246) is [3-hydroxy-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [3-hydroxy-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [3-hydroxy-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone is CC(C)c1cc(C(=O)N2CCCC(O)(c3cc4ncccc4[nH]3)C2)on1.
What is the InChIKey of [3-hydroxy-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?
The InChIKey is APJHEVLVYQBAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-12(2)14-9-16(26-22-14)18(24)23-8-4-6-19(25,11-23)17-10-15-13(21-17)5-3-7-20-15/h3,5,7,9-10,12,21,25H,4,6,8,11H2,1-2H3.
What are the key properties of [3-hydroxy-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?
[3-hydroxy-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone has a molecular weight of 354.41 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 155512246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).