2-[3-(4-amino-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)-4-pyridin-2-yl-1,2-oxazol-5-yl]propan-2-ol

C20H22N6O2 — CID 139331293

IUPAC2-[3-(4-amino-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)-4-pyridin-2-yl-1,2-oxazol-5-yl]propan-2-ol
SMILESCC(C)n1nc(-c2noc(C(C)(C)O)c2-c2ccccn2)c2c(N)nccc21
InChIInChI=1S/C20H22N6O2/c1-11(2)26-13-8-10-23-19(21)15(13)16(24-26)17-14(12-7-5-6-9-22-12)18(28-25-17)20(3,4)27/h5-11,27H,1-4H3,(H2,21,23)
InChIKeyPCYVJNFHFCIZLW-UHFFFAOYSA-N
MW378.44 g/mol
LogP3.54
Rot. Bonds4

About 2-[3-(4-amino-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)-4-pyridin-2-yl-1,2-oxazol-5-yl]propan-2-ol

2-[3-(4-amino-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)-4-pyridin-2-yl-1,2-oxazol-5-yl]propan-2-ol (PubChem CID 139331293) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-[3-(4-amino-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)-4-pyridin-2-yl-1,2-oxazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-(4-amino-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)-4-pyridin-2-yl-1,2-oxazol-5-yl]propan-2-ol
PubChem CID139331293
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name2-[3-(4-amino-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)-4-pyridin-2-yl-1,2-oxazol-5-yl]propan-2-ol
SMILESCC(C)n1nc(-c2noc(C(C)(C)O)c2-c2ccccn2)c2c(N)nccc21
InChIInChI=1S/C20H22N6O2/c1-11(2)26-13-8-10-23-19(21)15(13)16(24-26)17-14(12-7-5-6-9-22-12)18(28-25-17)20(3,4)27/h5-11,27H,1-4H3,(H2,21,23)
InChIKeyPCYVJNFHFCIZLW-UHFFFAOYSA-N
XLogP3.54
TPSA115.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-amino-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)-4-pyridin-2-yl-1,2-oxazol-5-yl]propan-2-ol?
The IUPAC name of 2-[3-(4-amino-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)-4-pyridin-2-yl-1,2-oxazol-5-yl]propan-2-ol (CID 139331293) is 2-[3-(4-amino-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)-4-pyridin-2-yl-1,2-oxazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[3-(4-amino-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)-4-pyridin-2-yl-1,2-oxazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[3-(4-amino-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)-4-pyridin-2-yl-1,2-oxazol-5-yl]propan-2-ol is CC(C)n1nc(-c2noc(C(C)(C)O)c2-c2ccccn2)c2c(N)nccc21.
What is the InChIKey of 2-[3-(4-amino-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)-4-pyridin-2-yl-1,2-oxazol-5-yl]propan-2-ol?
The InChIKey is PCYVJNFHFCIZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-11(2)26-13-8-10-23-19(21)15(13)16(24-26)17-14(12-7-5-6-9-22-12)18(28-25-17)20(3,4)27/h5-11,27H,1-4H3,(H2,21,23).
What are the key properties of 2-[3-(4-amino-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)-4-pyridin-2-yl-1,2-oxazol-5-yl]propan-2-ol?
2-[3-(4-amino-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)-4-pyridin-2-yl-1,2-oxazol-5-yl]propan-2-ol has a molecular weight of 378.44 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-amino-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)-4-pyridin-2-yl-1,2-oxazol-5-yl]propan-2-ol is sourced from PubChem (CID 139331293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).