[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol

C19H18N4O2 — CID 86267505

IUPAC[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol
SMILESCc1noc(C)c1-c1cnc2[nH]c(C)c(C(O)c3cccnc3)c2c1
InChIInChI=1S/C19H18N4O2/c1-10-17(18(24)13-5-4-6-20-8-13)15-7-14(9-21-19(15)22-10)16-11(2)23-25-12(16)3/h4-9,18,24H,1-3H3,(H,21,22)
InChIKeyWFCGOZDGFDKLRK-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.62
Rot. Bonds3

About [5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol

[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol (PubChem CID 86267505) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is [5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol
PubChem CID86267505
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol
SMILESCc1noc(C)c1-c1cnc2[nH]c(C)c(C(O)c3cccnc3)c2c1
InChIInChI=1S/C19H18N4O2/c1-10-17(18(24)13-5-4-6-20-8-13)15-7-14(9-21-19(15)22-10)16-11(2)23-25-12(16)3/h4-9,18,24H,1-3H3,(H,21,22)
InChIKeyWFCGOZDGFDKLRK-UHFFFAOYSA-N
XLogP3.62
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol?
The IUPAC name of [5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol (CID 86267505) is [5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol is Cc1noc(C)c1-c1cnc2[nH]c(C)c(C(O)c3cccnc3)c2c1.
What is the InChIKey of [5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol?
The InChIKey is WFCGOZDGFDKLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-10-17(18(24)13-5-4-6-20-8-13)15-7-14(9-21-19(15)22-10)16-11(2)23-25-12(16)3/h4-9,18,24H,1-3H3,(H,21,22).
What are the key properties of [5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol?
[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol has a molecular weight of 334.38 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 86267505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).