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

C19H24N6O — CID 95861790

IUPAC5-[(4R)-5-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-3-methyl-1,2-oxazole
SMILESC=CCn1nc(C)c(CN2CCc3[nH]cnc3[C@@H]2c2cc(C)no2)c1C
InChIInChI=1S/C19H24N6O/c1-5-7-25-14(4)15(13(3)22-25)10-24-8-6-16-18(21-11-20-16)19(24)17-9-12(2)23-26-17/h5,9,11,19H,1,6-8,10H2,2-4H3,(H,20,21)/t19-/m0/s1
InChIKeyGZICHJYFIQGBEH-IBGZPJMESA-N
MW352.44 g/mol
LogP2.85
Rot. Bonds5

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

5-[(4R)-5-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-3-methyl-1,2-oxazole (PubChem CID 95861790) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 5-[(4R)-5-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(4R)-5-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-3-methyl-1,2-oxazole
PubChem CID95861790
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name5-[(4R)-5-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-3-methyl-1,2-oxazole
SMILESC=CCn1nc(C)c(CN2CCc3[nH]cnc3[C@@H]2c2cc(C)no2)c1C
InChIInChI=1S/C19H24N6O/c1-5-7-25-14(4)15(13(3)22-25)10-24-8-6-16-18(21-11-20-16)19(24)17-9-12(2)23-26-17/h5,9,11,19H,1,6-8,10H2,2-4H3,(H,20,21)/t19-/m0/s1
InChIKeyGZICHJYFIQGBEH-IBGZPJMESA-N
XLogP2.85
TPSA75.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(4R)-5-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[(4R)-5-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-3-methyl-1,2-oxazole (CID 95861790) is 5-[(4R)-5-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[(4R)-5-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[(4R)-5-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-3-methyl-1,2-oxazole is C=CCn1nc(C)c(CN2CCc3[nH]cnc3[C@@H]2c2cc(C)no2)c1C.
What is the InChIKey of 5-[(4R)-5-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-3-methyl-1,2-oxazole?
The InChIKey is GZICHJYFIQGBEH-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24N6O/c1-5-7-25-14(4)15(13(3)22-25)10-24-8-6-16-18(21-11-20-16)19(24)17-9-12(2)23-26-17/h5,9,11,19H,1,6-8,10H2,2-4H3,(H,20,21)/t19-/m0/s1.
What are the key properties of 5-[(4R)-5-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-3-methyl-1,2-oxazole?
5-[(4R)-5-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-3-methyl-1,2-oxazole has a molecular weight of 352.44 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4R)-5-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 95861790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).