3-methyl-5-[[(3S,4R)-4-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)oxolan-3-yl]methyl]-1,2-oxazole

C19H19N5O2 — CID 154822887

IUPAC3-methyl-5-[[(3S,4R)-4-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)oxolan-3-yl]methyl]-1,2-oxazole
SMILESCc1cc(C[C@@H]2COC[C@@H]2n2ccnc2-c2cccc3ccnn23)on1
InChIInChI=1S/C19H19N5O2/c1-13-9-16(26-22-13)10-14-11-25-12-18(14)23-8-7-20-19(23)17-4-2-3-15-5-6-21-24(15)17/h2-9,14,18H,10-12H2,1H3/t14-,18+/m1/s1
InChIKeyCUIUPZBCAMKQNT-KDOFPFPSSA-N
MW349.39 g/mol
LogP2.92
Rot. Bonds4

About 3-methyl-5-[[(3S,4R)-4-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)oxolan-3-yl]methyl]-1,2-oxazole

3-methyl-5-[[(3S,4R)-4-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)oxolan-3-yl]methyl]-1,2-oxazole (PubChem CID 154822887) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-methyl-5-[[(3S,4R)-4-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)oxolan-3-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[[(3S,4R)-4-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)oxolan-3-yl]methyl]-1,2-oxazole
PubChem CID154822887
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name3-methyl-5-[[(3S,4R)-4-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)oxolan-3-yl]methyl]-1,2-oxazole
SMILESCc1cc(C[C@@H]2COC[C@@H]2n2ccnc2-c2cccc3ccnn23)on1
InChIInChI=1S/C19H19N5O2/c1-13-9-16(26-22-13)10-14-11-25-12-18(14)23-8-7-20-19(23)17-4-2-3-15-5-6-21-24(15)17/h2-9,14,18H,10-12H2,1H3/t14-,18+/m1/s1
InChIKeyCUIUPZBCAMKQNT-KDOFPFPSSA-N
XLogP2.92
TPSA70.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[(3S,4R)-4-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)oxolan-3-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[[(3S,4R)-4-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)oxolan-3-yl]methyl]-1,2-oxazole (CID 154822887) is 3-methyl-5-[[(3S,4R)-4-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)oxolan-3-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[[(3S,4R)-4-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)oxolan-3-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[[(3S,4R)-4-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)oxolan-3-yl]methyl]-1,2-oxazole is Cc1cc(C[C@@H]2COC[C@@H]2n2ccnc2-c2cccc3ccnn23)on1.
What is the InChIKey of 3-methyl-5-[[(3S,4R)-4-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)oxolan-3-yl]methyl]-1,2-oxazole?
The InChIKey is CUIUPZBCAMKQNT-KDOFPFPSSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-13-9-16(26-22-13)10-14-11-25-12-18(14)23-8-7-20-19(23)17-4-2-3-15-5-6-21-24(15)17/h2-9,14,18H,10-12H2,1H3/t14-,18+/m1/s1.
What are the key properties of 3-methyl-5-[[(3S,4R)-4-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)oxolan-3-yl]methyl]-1,2-oxazole?
3-methyl-5-[[(3S,4R)-4-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)oxolan-3-yl]methyl]-1,2-oxazole has a molecular weight of 349.39 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[(3S,4R)-4-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)oxolan-3-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 154822887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).