3,5-dimethyl-4-[[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole

C16H20N6O — CID 165427655

IUPAC3,5-dimethyl-4-[[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1Cc2[nH]cnc2C(c2cnn(C)c2)C1
InChIInChI=1S/C16H20N6O/c1-10-13(11(2)23-20-10)6-22-7-14(12-4-19-21(3)5-12)16-15(8-22)17-9-18-16/h4-5,9,14H,6-8H2,1-3H3,(H,17,18)
InChIKeyAZMILMUBQACQKW-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.90
Rot. Bonds3

About 3,5-dimethyl-4-[[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole

3,5-dimethyl-4-[[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole (PubChem CID 165427655) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 3,5-dimethyl-4-[[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole
PubChem CID165427655
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name3,5-dimethyl-4-[[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1Cc2[nH]cnc2C(c2cnn(C)c2)C1
InChIInChI=1S/C16H20N6O/c1-10-13(11(2)23-20-10)6-22-7-14(12-4-19-21(3)5-12)16-15(8-22)17-9-18-16/h4-5,9,14H,6-8H2,1-3H3,(H,17,18)
InChIKeyAZMILMUBQACQKW-UHFFFAOYSA-N
XLogP1.90
TPSA75.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole (CID 165427655) is 3,5-dimethyl-4-[[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole is Cc1noc(C)c1CN1Cc2[nH]cnc2C(c2cnn(C)c2)C1.
What is the InChIKey of 3,5-dimethyl-4-[[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole?
The InChIKey is AZMILMUBQACQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-10-13(11(2)23-20-10)6-22-7-14(12-4-19-21(3)5-12)16-15(8-22)17-9-18-16/h4-5,9,14H,6-8H2,1-3H3,(H,17,18).
What are the key properties of 3,5-dimethyl-4-[[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole?
3,5-dimethyl-4-[[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole has a molecular weight of 312.38 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 165427655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).