3-[5-chloro-1-methyl-4-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)pyrazol-3-yl]-5-methyl-1,2-oxazole

C14H15ClN6O — CID 56717601

IUPAC3-[5-chloro-1-methyl-4-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)pyrazol-3-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(-c2nn(C)c(Cl)c2C2NCCc3[nH]cnc32)no1
InChIInChI=1S/C14H15ClN6O/c1-7-5-9(20-22-7)11-10(14(15)21(2)19-11)13-12-8(3-4-16-13)17-6-18-12/h5-6,13,16H,3-4H2,1-2H3,(H,17,18)
InChIKeyVZDOVGJTXITGKK-UHFFFAOYSA-N
MW318.77 g/mol
LogP2.00
Rot. Bonds2

About 3-[5-chloro-1-methyl-4-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)pyrazol-3-yl]-5-methyl-1,2-oxazole

3-[5-chloro-1-methyl-4-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)pyrazol-3-yl]-5-methyl-1,2-oxazole (PubChem CID 56717601) has the molecular formula C14H15ClN6O and a molecular weight of 318.77 g/mol. Its IUPAC name is 3-[5-chloro-1-methyl-4-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)pyrazol-3-yl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[5-chloro-1-methyl-4-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)pyrazol-3-yl]-5-methyl-1,2-oxazole
PubChem CID56717601
Molecular FormulaC14H15ClN6O
Molecular Weight318.77 g/mol
Exact Mass318.10
IUPAC Name3-[5-chloro-1-methyl-4-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)pyrazol-3-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(-c2nn(C)c(Cl)c2C2NCCc3[nH]cnc32)no1
InChIInChI=1S/C14H15ClN6O/c1-7-5-9(20-22-7)11-10(14(15)21(2)19-11)13-12-8(3-4-16-13)17-6-18-12/h5-6,13,16H,3-4H2,1-2H3,(H,17,18)
InChIKeyVZDOVGJTXITGKK-UHFFFAOYSA-N
XLogP2.00
TPSA84.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.77
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[5-chloro-1-methyl-4-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)pyrazol-3-yl]-5-methyl-1,2-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-1-methyl-4-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)pyrazol-3-yl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[5-chloro-1-methyl-4-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)pyrazol-3-yl]-5-methyl-1,2-oxazole (CID 56717601) is 3-[5-chloro-1-methyl-4-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)pyrazol-3-yl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[5-chloro-1-methyl-4-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)pyrazol-3-yl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[5-chloro-1-methyl-4-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)pyrazol-3-yl]-5-methyl-1,2-oxazole is Cc1cc(-c2nn(C)c(Cl)c2C2NCCc3[nH]cnc32)no1.
What is the InChIKey of 3-[5-chloro-1-methyl-4-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)pyrazol-3-yl]-5-methyl-1,2-oxazole?
The InChIKey is VZDOVGJTXITGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN6O/c1-7-5-9(20-22-7)11-10(14(15)21(2)19-11)13-12-8(3-4-16-13)17-6-18-12/h5-6,13,16H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 3-[5-chloro-1-methyl-4-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)pyrazol-3-yl]-5-methyl-1,2-oxazole?
3-[5-chloro-1-methyl-4-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)pyrazol-3-yl]-5-methyl-1,2-oxazole has a molecular weight of 318.77 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-1-methyl-4-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)pyrazol-3-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 56717601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).