5-methyl-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-oxazole

C17H18N4O — CID 95899492

IUPAC5-methyl-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-oxazole
SMILESCc1cnc(CN2CC=C(c3c[nH]c4ncccc34)CC2)o1
InChIInChI=1S/C17H18N4O/c1-12-9-19-16(22-12)11-21-7-4-13(5-8-21)15-10-20-17-14(15)3-2-6-18-17/h2-4,6,9-10H,5,7-8,11H2,1H3,(H,18,20)
InChIKeyTUQXKBGEISQVLI-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.15
Rot. Bonds3

About 5-methyl-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-oxazole

5-methyl-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-oxazole (PubChem CID 95899492) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-methyl-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-oxazole
PubChem CID95899492
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name5-methyl-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-oxazole
SMILESCc1cnc(CN2CC=C(c3c[nH]c4ncccc34)CC2)o1
InChIInChI=1S/C17H18N4O/c1-12-9-19-16(22-12)11-21-7-4-13(5-8-21)15-10-20-17-14(15)3-2-6-18-17/h2-4,6,9-10H,5,7-8,11H2,1H3,(H,18,20)
InChIKeyTUQXKBGEISQVLI-UHFFFAOYSA-N
XLogP3.15
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 71930316
2-cyclopropyl-5-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3,4-oxadiazole
CID 72006649
5-phenyl-2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-oxazole
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N-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-oxazol-2-amine
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CID 95137661
1-[6-(6-Amino-5-trifluoromethyl-pyridin-3-yl)-imidazo[1,2-a]pyridin-2-yl]-3-[2-(5-ethyl-oxazol-2-yl)-ethyl]-urea
CID 23649351
4-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-oxazole
CID 139552435
5-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,3-oxazole
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methyl 2-[[2-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-dihydropyrrolo[2,3-d]pyrimidin-7-yl]acetyl]amino]acetate
CID 163906672
1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,2,2-trifluoro-N-(1,3-oxazol-2-ylmethyl)ethanamine
CID 167090669

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-oxazole (CID 95899492) is 5-methyl-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-oxazole is Cc1cnc(CN2CC=C(c3c[nH]c4ncccc34)CC2)o1.
What is the InChIKey of 5-methyl-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-oxazole?
The InChIKey is TUQXKBGEISQVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-12-9-19-16(22-12)11-21-7-4-13(5-8-21)15-10-20-17-14(15)3-2-6-18-17/h2-4,6,9-10H,5,7-8,11H2,1H3,(H,18,20).
What are the key properties of 5-methyl-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-oxazole?
5-methyl-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-oxazole has a molecular weight of 294.36 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 95899492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).