3-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

C21H24N6O — CID 143876630

IUPAC3-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESC=Cc1nc(-c2cc(-c3cnn(C4CCNCC4)c3)cnc2N)oc1/C=C\C
InChIInChI=1S/C21H24N6O/c1-3-5-19-18(4-2)26-21(28-19)17-10-14(11-24-20(17)22)15-12-25-27(13-15)16-6-8-23-9-7-16/h3-5,10-13,16,23H,2,6-9H2,1H3,(H2,22,24)/b5-3-
InChIKeyRVCIEZNGKAAUPO-HYXAFXHYSA-N
MW376.46 g/mol
LogP3.78
Rot. Bonds5

About 3-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

3-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (PubChem CID 143876630) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
PubChem CID143876630
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name3-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESC=Cc1nc(-c2cc(-c3cnn(C4CCNCC4)c3)cnc2N)oc1/C=C\C
InChIInChI=1S/C21H24N6O/c1-3-5-19-18(4-2)26-21(28-19)17-10-14(11-24-20(17)22)15-12-25-27(13-15)16-6-8-23-9-7-16/h3-5,10-13,16,23H,2,6-9H2,1H3,(H2,22,24)/b5-3-
InChIKeyRVCIEZNGKAAUPO-HYXAFXHYSA-N
XLogP3.78
TPSA94.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 118110200
2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-N-propyl-1,3-benzoxazol-6-amine
CID 70688055
3-(3-methyl-1-benzofuran-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 67521585
3-isoquinolin-3-yl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;trihydrochloride
CID 67520854
2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-N,N-dimethyl-1,3-benzoxazol-5-amine;2,2,2-trifluoroacetic acid
CID 72724696
3-[5-(2,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 118110202
3-[7-(4-methoxyphenyl)-1,3-benzoxazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;2,2,2-trifluoroacetic acid
CID 70683786
3-(6-fluoroisoquinolin-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 67521365
3-[6-(4-methoxyphenyl)-1,3-benzoxazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;2,2,2-trifluoroacetic acid
CID 72725555
3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]isoquinolin-6-ol
CID 136600714
3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]isoquinolin-5-ol
CID 67521356
3-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 123430712

Frequently Asked Questions

What is the IUPAC name of 3-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (CID 143876630) is 3-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is C=Cc1nc(-c2cc(-c3cnn(C4CCNCC4)c3)cnc2N)oc1/C=C\C.
What is the InChIKey of 3-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is RVCIEZNGKAAUPO-HYXAFXHYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-3-5-19-18(4-2)26-21(28-19)17-10-14(11-24-20(17)22)15-12-25-27(13-15)16-6-8-23-9-7-16/h3-5,10-13,16,23H,2,6-9H2,1H3,(H2,22,24)/b5-3-.
What are the key properties of 3-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
3-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 376.46 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 143876630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).